2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid

C12H21NO3 — CID 63687750

IUPAC2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C=O)C(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(2)13(8-14)11(12(15)16)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3,(H,15,16)
InChIKeyKQUTZELZEWUZJR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds5

About 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid

2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid (PubChem CID 63687750) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
PubChem CID63687750
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C=O)C(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(2)13(8-14)11(12(15)16)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3,(H,15,16)
InChIKeyKQUTZELZEWUZJR-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 139496454
(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
CID 116857513
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
2-cyclohexyl-2-propan-2-ylsulfanylacetic acid
CID 82932331
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744
2-cyclohexylpropanoic acid;(2S)-2,3,3-trimethylbutanoic acid
CID 91274139
2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid
CID 113428532

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid (CID 63687750) is 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid is CC(C)N(C=O)C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid?
The InChIKey is KQUTZELZEWUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)13(8-14)11(12(15)16)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid?
2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 63687750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).