2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid

C12H18N2O4 — CID 119194812

IUPAC2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
SMILESCN1CCC(C(=O)N(CC(=O)O)C2CC2)CC1=O
InChIInChI=1S/C12H18N2O4/c1-13-5-4-8(6-10(13)15)12(18)14(7-11(16)17)9-2-3-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyLQTVCISJAFHEOX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.07
Rot. Bonds4

About 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid

2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid (PubChem CID 119194812) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
PubChem CID119194812
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
SMILESCN1CCC(C(=O)N(CC(=O)O)C2CC2)CC1=O
InChIInChI=1S/C12H18N2O4/c1-13-5-4-8(6-10(13)15)12(18)14(7-11(16)17)9-2-3-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyLQTVCISJAFHEOX-UHFFFAOYSA-N
XLogP-0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94471887
2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
CID 125118927
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119825327
3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 125150139
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 129365611
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
CID 60826561
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412
(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 95340345
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid (CID 119194812) is 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid is CN1CCC(C(=O)N(CC(=O)O)C2CC2)CC1=O.
What is the InChIKey of 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
The InChIKey is LQTVCISJAFHEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13-5-4-8(6-10(13)15)12(18)14(7-11(16)17)9-2-3-9/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119194812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).