(2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C26H30N2O6 — CID 102171661

IUPAC(2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](C[C@@H]1C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-22(23(29)30)13-15-12-21(15)27-24(31)33-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-22H,12-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t15-,21+,22+/m0/s1
InChIKeySDABBGRRQZOUGX-ITEAAPOESA-N
MW466.53 g/mol
LogP4.28
Rot. Bonds7

About (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 102171661) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID102171661
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name(2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](C[C@@H]1C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-22(23(29)30)13-15-12-21(15)27-24(31)33-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-22H,12-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t15-,21+,22+/m0/s1
InChIKeySDABBGRRQZOUGX-ITEAAPOESA-N
XLogP4.28
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2R)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-3-enyl]cyclopropyl]carbamate
CID 25053235
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]propanoic acid
CID 155821822
(2R,7R)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 10698505
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 7018222
2-amino-5-(9H-fluoren-9-ylmethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 71307548
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 7018816
(2S,7S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooct-4-ynoic acid
CID 51031698
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-4-methylpentanoic acid
CID 96581934
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 4712502
(2S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 16664841
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylhex-5-enoic acid
CID 138987577
9H-fluoren-9-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 10961226

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 102171661) is (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N[C@H](C[C@@H]1C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is SDABBGRRQZOUGX-ITEAAPOESA-N. The full InChI is InChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-22(23(29)30)13-15-12-21(15)27-24(31)33-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-22H,12-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t15-,21+,22+/m0/s1.
What are the key properties of (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 466.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 102171661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).