2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid

C14H24N2O3 — CID 104678556

IUPAC2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid
SMILESC=CCC(NC(=O)CC1(CN)CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-6-11(13(18)19)16-12(17)9-14(10-15)7-4-3-5-8-14/h2,11H,1,3-10,15H2,(H,16,17)(H,18,19)
InChIKeyZMQANFYXKFYZAE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.43
Rot. Bonds7

About 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid

2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid (PubChem CID 104678556) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid
PubChem CID104678556
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid
SMILESC=CCC(NC(=O)CC1(CN)CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-6-11(13(18)19)16-12(17)9-14(10-15)7-4-3-5-8-14/h2,11H,1,3-10,15H2,(H,16,17)(H,18,19)
InChIKeyZMQANFYXKFYZAE-UHFFFAOYSA-N
XLogP1.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic 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

(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 103870495
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
prop-2-enyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
CID 66743418
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862841

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid?
The IUPAC name of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid (CID 104678556) is 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid.
What is the SMILES notation for 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid?
The canonical SMILES for 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid is C=CCC(NC(=O)CC1(CN)CCCCC1)C(=O)O.
What is the InChIKey of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid?
The InChIKey is ZMQANFYXKFYZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-6-11(13(18)19)16-12(17)9-14(10-15)7-4-3-5-8-14/h2,11H,1,3-10,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid?
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pent-4-enoic acid is sourced from PubChem (CID 104678556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).