2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid

C12H21N3O4 — CID 65226837

IUPAC2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-3-8(11(17)18)6-13-12(19)14-7-9-4-5-10(16)15-9/h8-9H,2-7H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyDGRYUBIBGKPZNN-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.07
Rot. Bonds7

About 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid

2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid (PubChem CID 65226837) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
PubChem CID65226837
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-3-8(11(17)18)6-13-12(19)14-7-9-4-5-10(16)15-9/h8-9H,2-7H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyDGRYUBIBGKPZNN-UHFFFAOYSA-N
XLogP0.07
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 78993838
2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83193569
2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 103498544
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628
1-[(5-oxopyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115629356
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440569
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106382868

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid (CID 65226837) is 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NCC1CCC(=O)N1)C(=O)O.
What is the InChIKey of 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is DGRYUBIBGKPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-3-8(11(17)18)6-13-12(19)14-7-9-4-5-10(16)15-9/h8-9H,2-7H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19).
What are the key properties of 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65226837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).