4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid

C10H18N2O3 — CID 13041015

IUPAC4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyGDWDSVQLHBHJLW-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.05
Rot. Bonds4

About 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 13041015) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID13041015
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyGDWDSVQLHBHJLW-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 13041015) is 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid is NCC(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GDWDSVQLHBHJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h7-8H,1-6,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 13041015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).