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

C10H18N2O4 — CID 61158071

IUPAC2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyOBSIPTVJSOCDLZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.07
Rot. Bonds4

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

2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 61158071) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID61158071
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyOBSIPTVJSOCDLZ-UHFFFAOYSA-N
XLogP-1.07
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.07
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-methylbutanoic acid?
The IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid (CID 61158071) is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)C1CC(O)CN1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is OBSIPTVJSOCDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.07, 4 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-methylbutanoic acid is sourced from PubChem (CID 61158071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).