4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid

C12H21N3O4 — CID 106192096

IUPAC4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H21N3O4/c1-8(2)15(5-3-4-11(17)18)12(19)14-9-6-10(16)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKWHYDVKYLMQVIY-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds6

About 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid

4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 106192096) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
PubChem CID106192096
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H21N3O4/c1-8(2)15(5-3-4-11(17)18)12(19)14-9-6-10(16)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKWHYDVKYLMQVIY-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

4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 83193312
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191651
3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191614
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
CID 79380827
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 55233082
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640
4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 82728453
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid (CID 106192096) is 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NC1CNC(=O)C1.
What is the InChIKey of 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is KWHYDVKYLMQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(2)15(5-3-4-11(17)18)12(19)14-9-6-10(16)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic 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 4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 106192096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).