2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid

C11H20N2O3 — CID 96554681

IUPAC2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
SMILESCC(=O)N(C)[C@@H]1CCCC[C@H]1NCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(14)13(2)10-6-4-3-5-9(10)12-7-11(15)16/h9-10,12H,3-7H2,1-2H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyWHULBMMYJHPGMP-NXEZZACHSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds4

About 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid

2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid (PubChem CID 96554681) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
PubChem CID96554681
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
SMILESCC(=O)N(C)[C@@H]1CCCC[C@H]1NCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(14)13(2)10-6-4-3-5-9(10)12-7-11(15)16/h9-10,12H,3-7H2,1-2H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyWHULBMMYJHPGMP-NXEZZACHSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
CID 96554380
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-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
N-methyl-N-[(2S)-2-(methylamino)cyclopentyl]acetamide
CID 121478943
N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554525
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid (CID 96554681) is 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid is CC(=O)N(C)[C@@H]1CCCC[C@H]1NCC(=O)O.
What is the InChIKey of 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid?
The InChIKey is WHULBMMYJHPGMP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(14)13(2)10-6-4-3-5-9(10)12-7-11(15)16/h9-10,12H,3-7H2,1-2H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid?
2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 96554681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).