2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid

C14H24N2O4 — CID 66684953

IUPAC2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid
SMILESN[C@@H](NC(C(=O)O)C1CCCC1)C(=O)OC1CCCC1
InChIInChI=1S/C14H24N2O4/c15-12(14(19)20-10-7-3-4-8-10)16-11(13(17)18)9-5-1-2-6-9/h9-12,16H,1-8,15H2,(H,17,18)/t11?,12-/m0/s1
InChIKeyMPGFTEIMBZILOG-KIYNQFGBSA-N
MW284.36 g/mol
LogP0.99
Rot. Bonds6

About 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid

2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid (PubChem CID 66684953) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid
PubChem CID66684953
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid
SMILESN[C@@H](NC(C(=O)O)C1CCCC1)C(=O)OC1CCCC1
InChIInChI=1S/C14H24N2O4/c15-12(14(19)20-10-7-3-4-8-10)16-11(13(17)18)9-5-1-2-6-9/h9-12,16H,1-8,15H2,(H,17,18)/t11?,12-/m0/s1
InChIKeyMPGFTEIMBZILOG-KIYNQFGBSA-N
XLogP0.99
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic 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

Diethyl 2-[(3-cyclopentyl-3-hydroxypropyl)amino]nonanedioate
CID 20436887
2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid
CID 66967772
(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 177254784
2-Cyclopentyl-2-(oxolan-2-ylmethylamino)acetic acid
CID 62070198
Ethyl 2-cyclopentyl-2-(cyclopentylamino)acetate
CID 62070202
2-Cyclopentyl-2-(2-methoxyethylamino)acetic acid
CID 62541032
1-(2-Cyclopentyloxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63832112
1-(2-Cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
2-[1-(2-Cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701305
1-[(2-Cyclopropyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104004577

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid?
The IUPAC name of 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid (CID 66684953) is 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid.
What is the SMILES notation for 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid?
The canonical SMILES for 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid is N[C@@H](NC(C(=O)O)C1CCCC1)C(=O)OC1CCCC1.
What is the InChIKey of 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid?
The InChIKey is MPGFTEIMBZILOG-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24N2O4/c15-12(14(19)20-10-7-3-4-8-10)16-11(13(17)18)9-5-1-2-6-9/h9-12,16H,1-8,15H2,(H,17,18)/t11?,12-/m0/s1.
What are the key properties of 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid?
2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-amino-2-cyclopentyloxy-2-oxoethyl]amino]-2-cyclopentylacetic acid is sourced from PubChem (CID 66684953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).