(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid

C16H25NO4 — CID 118983364

IUPAC(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
SMILESC=CCCCC1C[C@H]1OC(=O)N[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C16H25NO4/c1-2-3-4-9-12-10-13(12)21-16(20)17-14(15(18)19)11-7-5-6-8-11/h2,11-14H,1,3-10H2,(H,17,20)(H,18,19)/t12?,13-,14+/m1/s1
InChIKeyPHJZGYPXNNZEAD-IUZLNWEFSA-N
MW295.38 g/mol
LogP3.10
Rot. Bonds8

About (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid

(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid (PubChem CID 118983364) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
PubChem CID118983364
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
SMILESC=CCCCC1C[C@H]1OC(=O)N[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C16H25NO4/c1-2-3-4-9-12-10-13(12)21-16(20)17-14(15(18)19)11-7-5-6-8-11/h2,11-14H,1,3-10H2,(H,17,20)(H,18,19)/t12?,13-,14+/m1/s1
InChIKeyPHJZGYPXNNZEAD-IUZLNWEFSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic 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-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid
CID 66781911
2-cyclohexyl-2-(hept-6-enoxycarbonylamino)acetic acid
CID 66782617
(2S)-2-cyclohexyl-2-[[(1R,2R)-2-prop-2-enoxycyclopentyl]oxycarbonylamino]acetic acid
CID 68664954
(2S)-3,3-dimethyl-2-[[(1R,2R)-2-pent-4-enylcyclopentyl]oxycarbonylamino]butanoic acid
CID 59287148
(2S)-2-[[(1R,2S)-2-but-3-enyl-1-methylcyclopentyl]oxycarbonylamino]-2-cyclopentylacetic acid
CID 66828478
(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid
CID 59584889
(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid
CID 59279898
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
pentyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734175
2-cyclopentylhept-6-enoic acid
CID 112569181
3,3-dimethyl-2-[(2-pent-4-enyl-3-bicyclo[3.1.1]heptanyl)oxycarbonylamino]butanoic acid
CID 123818101
heptyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid (CID 118983364) is (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid is C=CCCCC1C[C@H]1OC(=O)N[C@H](C(=O)O)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid?
The InChIKey is PHJZGYPXNNZEAD-IUZLNWEFSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-3-4-9-12-10-13(12)21-16(20)17-14(15(18)19)11-7-5-6-8-11/h2,11-14H,1,3-10H2,(H,17,20)(H,18,19)/t12?,13-,14+/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid?
(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid is sourced from PubChem (CID 118983364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).