3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid

C11H19N3O4 — CID 113408719

IUPAC3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C11H19N3O4/c1-8(10(17)14-6-2-3-7-14)13-11(18)12-5-4-9(15)16/h8H,2-7H2,1H3,(H,15,16)(H2,12,13,18)
InChIKeyRJDPPWJUJBYAHO-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds5

About 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid (PubChem CID 113408719) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
PubChem CID113408719
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C11H19N3O4/c1-8(10(17)14-6-2-3-7-14)13-11(18)12-5-4-9(15)16/h8H,2-7H2,1H3,(H,15,16)(H2,12,13,18)
InChIKeyRJDPPWJUJBYAHO-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 113408721
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352106
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352105
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid (CID 113408719) is 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid is CC(NC(=O)NCCC(=O)O)C(=O)N1CCCC1.
What is the InChIKey of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is RJDPPWJUJBYAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-8(10(17)14-6-2-3-7-14)13-11(18)12-5-4-9(15)16/h8H,2-7H2,1H3,(H,15,16)(H2,12,13,18).
What are the key properties of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid?
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 113408719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).