2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid

C10H18N2O3 — CID 115437637

IUPAC2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
SMILESNCC1(C(=O)NCC(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c11-7-10(4-2-1-3-5-10)9(15)12-6-8(13)14/h1-7,11H2,(H,12,15)(H,13,14)
InChIKeyFVQMOYBXXFTYEB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.10
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid

2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid (PubChem CID 115437637) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
PubChem CID115437637
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
SMILESNCC1(C(=O)NCC(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c11-7-10(4-2-1-3-5-10)9(15)12-6-8(13)14/h1-7,11H2,(H,12,15)(H,13,14)
InChIKeyFVQMOYBXXFTYEB-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]cyclobutane-1-carboxamide
CID 80588092
1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
CID 115444211
4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid
CID 103157255
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid (CID 115437637) is 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid is NCC1(C(=O)NCC(=O)O)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid?
The InChIKey is FVQMOYBXXFTYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-7-10(4-2-1-3-5-10)9(15)12-6-8(13)14/h1-7,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid?
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid is sourced from PubChem (CID 115437637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).