(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid

C11H19N3O4 — CID 103103373

IUPAC(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCN(CC(N)=O)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-2-13(7-9(12)15)11(18)14-5-3-4-8(6-14)10(16)17/h8H,2-7H2,1H3,(H2,12,15)(H,16,17)/t8-/m1/s1
InChIKeyGARSZVXKVXRFMG-MRVPVSSYSA-N
MW257.29 g/mol
LogP-0.29
Rot. Bonds4

About (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 103103373) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID103103373
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCN(CC(N)=O)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-2-13(7-9(12)15)11(18)14-5-3-4-8(6-14)10(16)17/h8H,2-7H2,1H3,(H2,12,15)(H,16,17)/t8-/m1/s1
InChIKeyGARSZVXKVXRFMG-MRVPVSSYSA-N
XLogP-0.29
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid (CID 103103373) is (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid is CCN(CC(N)=O)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is GARSZVXKVXRFMG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-2-13(7-9(12)15)11(18)14-5-3-4-8(6-14)10(16)17/h8H,2-7H2,1H3,(H2,12,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 103103373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).