3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid

C26H30N2O5 — CID 178191077

IUPAC3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)[C@H]1C[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O5/c1-3-28(14-16(2)25(30)31)24(29)22-12-17(22)13-27-26(32)33-15-23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-11,16-17,22-23H,3,12-15H2,1-2H3,(H,27,32)(H,30,31)/t16?,17-,22-/m0/s1
InChIKeyGLIZAOCZATXZQK-JIQQVWFUSA-N
MW450.54 g/mol
LogP3.73
Rot. Bonds9

About 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid

3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 178191077) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID178191077
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)[C@H]1C[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O5/c1-3-28(14-16(2)25(30)31)24(29)22-12-17(22)13-27-26(32)33-15-23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-11,16-17,22-23H,3,12-15H2,1-2H3,(H,27,32)(H,30,31)/t16?,17-,22-/m0/s1
InChIKeyGLIZAOCZATXZQK-JIQQVWFUSA-N
XLogP3.73
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

(2S)-2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]butanoic acid
CID 178195621
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178193406
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553
2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 178192505
4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 178195999
2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 178198967
1-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178195666
2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-5-methoxypentanoic acid
CID 178195673
2-cyclopropyl-2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid
CID 178191789
4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 178191454
trans-(1R,2S)-2-[[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178196251
3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 178196003

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid (CID 178191077) is 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)[C@H]1C[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is GLIZAOCZATXZQK-JIQQVWFUSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-3-28(14-16(2)25(30)31)24(29)22-12-17(22)13-27-26(32)33-15-23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-11,16-17,22-23H,3,12-15H2,1-2H3,(H,27,32)(H,30,31)/t16?,17-,22-/m0/s1.
What are the key properties of 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 450.54 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 178191077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).