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

C14H26N2O3 — CID 112547674

IUPAC4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-11(5-6-13(18)19)16-12(17)9-14(10-15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyQSSXJDMRFQQIPA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.66
Rot. Bonds7

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

4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid (PubChem CID 112547674) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
PubChem CID112547674
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-11(5-6-13(18)19)16-12(17)9-14(10-15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyQSSXJDMRFQQIPA-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 81169185
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60661834
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid (CID 112547674) is 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid?
The InChIKey is QSSXJDMRFQQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(5-6-13(18)19)16-12(17)9-14(10-15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid?
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 112547674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).