2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid

C8H14N2O4 — CID 61156985

IUPAC2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyPHMGRHJWVYZMPA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.70
Rot. Bonds3

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

2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 61156985) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID61156985
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyPHMGRHJWVYZMPA-UHFFFAOYSA-N
XLogP-1.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.70
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]propanoic acid?
The IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid (CID 61156985) is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid is CC(NC(=O)C1CC(O)CN1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is PHMGRHJWVYZMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid?
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.70, 3 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]propanoic acid is sourced from PubChem (CID 61156985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).