(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid

C12H21N3O4 — CID 81120213

IUPAC(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-8(2)14-10(16)6-13-12(19)15-5-3-4-9(7-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,19)(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyIKWAFVTYIPOCLX-SECBINFHSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds4

About (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120213) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120213
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-8(2)14-10(16)6-13-12(19)15-5-3-4-9(7-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,19)(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyIKWAFVTYIPOCLX-SECBINFHSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
CID 43568585
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670
(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid
CID 104861265
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid (CID 81120213) is (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid is CC(C)NC(=O)CNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IKWAFVTYIPOCLX-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(2)14-10(16)6-13-12(19)15-5-3-4-9(7-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,19)(H,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).