3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid

C12H21N3O4 — CID 113411593

IUPAC3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H21N3O4/c16-10(15-8-2-1-3-9-15)4-6-13-12(19)14-7-5-11(17)18/h1-9H2,(H,17,18)(H2,13,14,19)
InChIKeyDDFVFKWOVZVJDW-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds6

About 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid

3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid (PubChem CID 113411593) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
PubChem CID113411593
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H21N3O4/c16-10(15-8-2-1-3-9-15)4-6-13-12(19)14-7-5-11(17)18/h1-9H2,(H,17,18)(H2,13,14,19)
InChIKeyDDFVFKWOVZVJDW-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
(2S)-2-hydroxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 107840944
1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 115692831
7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
CID 166263523
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 112622922
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid (CID 113411593) is 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
The InChIKey is DDFVFKWOVZVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c16-10(15-8-2-1-3-9-15)4-6-13-12(19)14-7-5-11(17)18/h1-9H2,(H,17,18)(H2,13,14,19).
What are the key properties of 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 113411593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).