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

C13H21N3O4 — CID 79401803

IUPAC1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(CCNC(=O)N1CCCCC1C(=O)O)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-11(15-9-4-5-9)6-7-14-13(20)16-8-2-1-3-10(16)12(18)19/h9-10H,1-8H2,(H,14,20)(H,15,17)(H,18,19)
InChIKeyWCCUPTCNPGCSFE-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.30
Rot. Bonds5

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

1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 79401803) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID79401803
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(CCNC(=O)N1CCCCC1C(=O)O)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-11(15-9-4-5-9)6-7-14-13(20)16-8-2-1-3-10(16)12(18)19/h9-10H,1-8H2,(H,14,20)(H,15,17)(H,18,19)
InChIKeyWCCUPTCNPGCSFE-UHFFFAOYSA-N
XLogP0.30
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
N-[3-(cyclopropylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116656665
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140
1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid (CID 79401803) is 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid is O=C(CCNC(=O)N1CCCCC1C(=O)O)NC1CC1.
What is the InChIKey of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is WCCUPTCNPGCSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-11(15-9-4-5-9)6-7-14-13(20)16-8-2-1-3-10(16)12(18)19/h9-10H,1-8H2,(H,14,20)(H,15,17)(H,18,19).
What are the key properties of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid?
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79401803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).