3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid

C12H21N3O4 — CID 113408721

IUPAC3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)CCC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C12H21N3O4/c1-9(11(18)15-6-3-4-7-15)13-12(19)14(2)8-5-10(16)17/h9H,3-8H2,1-2H3,(H,13,19)(H,16,17)
InChIKeyFFOOLYHORWPFIV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.11
Rot. Bonds5

About 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid

3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 113408721) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID113408721
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)CCC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C12H21N3O4/c1-9(11(18)15-6-3-4-7-15)13-12(19)14(2)8-5-10(16)17/h9H,3-8H2,1-2H3,(H,13,19)(H,16,17)
InChIKeyFFOOLYHORWPFIV-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
3-[but-3-yn-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 114418466
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 113406371
1-[(5-chlorothiophen-2-yl)methyl]-1-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 51099427
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid (CID 113408721) is 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid is CC(NC(=O)N(C)CCC(=O)O)C(=O)N1CCCC1.
What is the InChIKey of 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is FFOOLYHORWPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-9(11(18)15-6-3-4-7-15)13-12(19)14(2)8-5-10(16)17/h9H,3-8H2,1-2H3,(H,13,19)(H,16,17).
What are the key properties of 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid?
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 113408721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).