2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid

C28H32N2O5 — CID 178192101

IUPAC2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)NCC(CC2CC2)C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H32N2O5/c31-26(29-15-19(27(32)33)13-17-9-10-17)18-11-12-20(14-18)30-28(34)35-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,17-20,25H,9-16H2,(H,29,31)(H,30,34)(H,32,33)/t18-,19?,20+/m0/s1
InChIKeyZIZDSSDGAVLUEM-SJBAFXMYSA-N
MW476.57 g/mol
LogP4.31
Rot. Bonds9

About 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid

2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 178192101) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid
PubChem CID178192101
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)NCC(CC2CC2)C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H32N2O5/c31-26(29-15-19(27(32)33)13-17-9-10-17)18-11-12-20(14-18)30-28(34)35-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,17-20,25H,9-16H2,(H,29,31)(H,30,34)(H,32,33)/t18-,19?,20+/m0/s1
InChIKeyZIZDSSDGAVLUEM-SJBAFXMYSA-N
XLogP4.31
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-3-methylpentanoic acid
CID 178191178
(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
CID 178192127
(2S)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxypropanoic acid
CID 178193478
3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid
CID 178192983
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
5-[[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 165447210
3-[[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 178193936
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-4-methylhexanoic acid
CID 178192100
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 178195460
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid (CID 178192101) is 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid is O=C(N[C@@H]1CC[C@H](C(=O)NCC(CC2CC2)C(=O)O)C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is ZIZDSSDGAVLUEM-SJBAFXMYSA-N. The full InChI is InChI=1S/C28H32N2O5/c31-26(29-15-19(27(32)33)13-17-9-10-17)18-11-12-20(14-18)30-28(34)35-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,17-20,25H,9-16H2,(H,29,31)(H,30,34)(H,32,33)/t18-,19?,20+/m0/s1.
What are the key properties of 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid?
2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 476.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 178192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).