2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid

C10H20N2O2 — CID 96885494

IUPAC2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
SMILESCN(C)[C@H]1CCCC[C@@H]1NCC(=O)O
InChIInChI=1S/C10H20N2O2/c1-12(2)9-6-4-3-5-8(9)11-7-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9-/m0/s1
InChIKeySHIGPZCAFDAGJP-IUCAKERBSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds4

About 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid

2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid (PubChem CID 96885494) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
PubChem CID96885494
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
SMILESCN(C)[C@H]1CCCC[C@@H]1NCC(=O)O
InChIInChI=1S/C10H20N2O2/c1-12(2)9-6-4-3-5-8(9)11-7-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9-/m0/s1
InChIKeySHIGPZCAFDAGJP-IUCAKERBSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic 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

2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 96554681
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299
2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554696
2-[[(1R,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554699
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
CID 170429908
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293
(Z)-but-2-enedioic acid;trans-(1R,2R)-2-N-benzyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 70590961
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid (CID 96885494) is 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid is CN(C)[C@H]1CCCC[C@@H]1NCC(=O)O.
What is the InChIKey of 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid?
The InChIKey is SHIGPZCAFDAGJP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(2)9-6-4-3-5-8(9)11-7-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid?
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 96885494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).