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

C12H22N2O3 — CID 96555299

IUPAC2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
SMILESCCN(C(C)=O)[C@@H]1CCCC[C@H]1NCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-14(9(2)15)11-7-5-4-6-10(11)13-8-12(16)17/h10-11,13H,3-8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyQGBGOHLLWPTYND-GHMZBOCLSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds5

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

2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid (PubChem CID 96555299) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
PubChem CID96555299
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
SMILESCCN(C(C)=O)[C@@H]1CCCC[C@H]1NCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-14(9(2)15)11-7-5-4-6-10(11)13-8-12(16)17/h10-11,13H,3-8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyQGBGOHLLWPTYND-GHMZBOCLSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 96554681
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
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-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 66567767
N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554534
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide
CID 121478864
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid (CID 96555299) is 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid is CCN(C(C)=O)[C@@H]1CCCC[C@H]1NCC(=O)O.
What is the InChIKey of 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The InChIKey is QGBGOHLLWPTYND-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(9(2)15)11-7-5-4-6-10(11)13-8-12(16)17/h10-11,13H,3-8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 5 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(ethyl)amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 96555299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).