1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid

C12H19N3O4 — CID 43568585

IUPAC1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(CNC(=O)N1CCCC(C(=O)O)C1)NC1CC1
InChIInChI=1S/C12H19N3O4/c16-10(14-9-3-4-9)6-13-12(19)15-5-1-2-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,19)(H,14,16)(H,17,18)
InChIKeyWRJRHJFLKIUOEV-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds4

About 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43568585) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID43568585
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(CNC(=O)N1CCCC(C(=O)O)C1)NC1CC1
InChIInChI=1S/C12H19N3O4/c16-10(14-9-3-4-9)6-13-12(19)15-5-1-2-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,19)(H,14,16)(H,17,18)
InChIKeyWRJRHJFLKIUOEV-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 81118415
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 79381622
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid
CID 104861265
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid (CID 43568585) is 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid is O=C(CNC(=O)N1CCCC(C(=O)O)C1)NC1CC1.
What is the InChIKey of 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WRJRHJFLKIUOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10(14-9-3-4-9)6-13-12(19)15-5-1-2-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,19)(H,14,16)(H,17,18).
What are the key properties of 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43568585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).