2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid

C13H24N2O3 — CID 96554696

IUPAC2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
SMILESCC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)15(10(3)16)12-7-5-4-6-11(12)14-8-13(17)18/h9,11-12,14H,4-8H2,1-3H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyFOGZDMWRCXQNDL-NWDGAFQWSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds5

About 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid

2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid (PubChem CID 96554696) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
PubChem CID96554696
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
SMILESCC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)15(10(3)16)12-7-5-4-6-11(12)14-8-13(17)18/h9,11-12,14H,4-8H2,1-3H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyFOGZDMWRCXQNDL-NWDGAFQWSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554699
N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
CID 96554405
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299
2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 96554681
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
N-[(1S,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]-2-chloroacetamide
CID 96554492
2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
CID 96553870
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid
CID 54754171

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid (CID 96554696) is 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid is CC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NCC(=O)O.
What is the InChIKey of 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid?
The InChIKey is FOGZDMWRCXQNDL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15(10(3)16)12-7-5-4-6-11(12)14-8-13(17)18/h9,11-12,14H,4-8H2,1-3H3,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid?
2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 96554696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).