2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid

C11H20N2O4 — CID 61157357

IUPAC2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyJKCPTRCNCMWJJG-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.68
Rot. Bonds5

About 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid

2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 61157357) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid
PubChem CID61157357
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyJKCPTRCNCMWJJG-UHFFFAOYSA-N
XLogP-0.68
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid (CID 61157357) is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)C1CC(O)CN1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is JKCPTRCNCMWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid?
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 61157357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).