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

C11H20N2O4 — CID 113416438

IUPAC3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCOC1CNC(C(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-6(11(15)16)7(2)13-10(14)9-4-8(17-3)5-12-9/h6-9,12H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHSFIIBALGMPWEA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds5

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

3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 113416438) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID113416438
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCOC1CNC(C(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-6(11(15)16)7(2)13-10(14)9-4-8(17-3)5-12-9/h6-9,12H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHSFIIBALGMPWEA-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076
2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
CID 61214957
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid (CID 113416438) is 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid is COC1CNC(C(=O)NC(C)C(C)C(=O)O)C1.
What is the InChIKey of 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is HSFIIBALGMPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6(11(15)16)7(2)13-10(14)9-4-8(17-3)5-12-9/h6-9,12H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid?
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 113416438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).