3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

C11H20N2O4 — CID 103536111

IUPAC3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCOC1CCN(C(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-7(10(14)15)8(2)12-11(16)13-5-4-9(6-13)17-3/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyHHNQCRSGPLPZRL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds4

About 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 103536111) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID103536111
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCOC1CCN(C(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-7(10(14)15)8(2)12-11(16)13-5-4-9(6-13)17-3/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyHHNQCRSGPLPZRL-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 106670735
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 113416458
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
CID 107316188
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 103536111) is 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is COC1CCN(C(=O)NC(C)C(C)C(=O)O)C1.
What is the InChIKey of 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is HHNQCRSGPLPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(10(14)15)8(2)12-11(16)13-5-4-9(6-13)17-3/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 103536111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).