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

C11H20N2O4 — CID 81072617

IUPAC4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCOC1CNC(C(=O)NCC(C)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-7(3-10(14)15)5-13-11(16)9-4-8(17-2)6-12-9/h7-9,12H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySIEWXWOJEHBBTQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds6

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

4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 81072617) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID81072617
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCOC1CNC(C(=O)NCC(C)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-7(3-10(14)15)5-13-11(16)9-4-8(17-2)6-12-9/h7-9,12H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySIEWXWOJEHBBTQ-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic 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

N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833245
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
CID 61214957
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid (CID 81072617) is 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid is COC1CNC(C(=O)NCC(C)CC(=O)O)C1.
What is the InChIKey of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is SIEWXWOJEHBBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(3-10(14)15)5-13-11(16)9-4-8(17-2)6-12-9/h7-9,12H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid?
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 81072617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).