1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid

C26H30N2O6 — CID 165463816

IUPAC1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C26H30N2O6/c1-33-15-22(23(29)27-16-26(24(30)31)12-6-7-13-26)28-25(32)34-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21-22H,6-7,12-16H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t22-/m0/s1
InChIKeyHSEVEAXOBFHLOC-QFIPXVFZSA-N
MW466.53 g/mol
LogP3.30
Rot. Bonds9

About 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 165463816) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID165463816
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C26H30N2O6/c1-33-15-22(23(29)27-16-26(24(30)31)12-6-7-13-26)28-25(32)34-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21-22H,6-7,12-16H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t22-/m0/s1
InChIKeyHSEVEAXOBFHLOC-QFIPXVFZSA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid
CID 165459469
cis-(1R,2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178192979
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 165459168
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-3-methoxypropanoic acid
CID 165448330
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
1-(2-methoxyethyl)cyclopentane-1-carboxylic acid;methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoate;methyl (2S)-2-[[1-(2-methoxyethyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate
CID 161051928
2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
CID 165481898
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 165463816) is 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid is COC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HSEVEAXOBFHLOC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-33-15-22(23(29)27-16-26(24(30)31)12-6-7-13-26)28-25(32)34-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21-22H,6-7,12-16H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t22-/m0/s1.
What are the key properties of 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 466.53 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 165463816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).