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

C10H18N2O5 — CID 62478644

IUPAC2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeySTLAMSRYTAGSGE-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.68
Rot. Bonds6

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

2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 62478644) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID62478644
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeySTLAMSRYTAGSGE-UHFFFAOYSA-N
XLogP-1.68
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 65048907
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023
2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
CID 61214957
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 115867150
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
CID 120702696
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid (CID 62478644) is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)C1CC(O)CN1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is STLAMSRYTAGSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid?
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).