1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid

C28H26N2O5 — CID 165471606

IUPAC1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NC1(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O5/c31-25(30-28(14-15-28)26(32)33)24(16-18-8-2-1-3-9-18)29-27(34)35-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,29,34)(H,30,31)(H,32,33)/t24-/m0/s1
InChIKeySGIFUVYSSWEEPE-DEOSSOPVSA-N
MW470.53 g/mol
LogP3.87
Rot. Bonds8

About 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid

1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 165471606) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid
PubChem CID165471606
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NC1(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O5/c31-25(30-28(14-15-28)26(32)33)24(16-18-8-2-1-3-9-18)29-27(34)35-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,29,34)(H,30,31)(H,32,33)/t24-/m0/s1
InChIKeySGIFUVYSSWEEPE-DEOSSOPVSA-N
XLogP3.87
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 132525640
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967
amino (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 174627656
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 165447312
9H-fluoren-9-ylmethyl N-[1-[[1-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10395683
9H-fluoren-9-ylmethyl N-[(2S)-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 98126653
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]benzoic acid
CID 139533437
(2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid
CID 14655135
9H-fluoren-9-ylmethyl N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 163290440

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid (CID 165471606) is 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)NC1(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is SGIFUVYSSWEEPE-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H26N2O5/c31-25(30-28(14-15-28)26(32)33)24(16-18-8-2-1-3-9-18)29-27(34)35-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,29,34)(H,30,31)(H,32,33)/t24-/m0/s1.
What are the key properties of 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid?
1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 470.53 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165471606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).