2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid

C10H20N2O2 — CID 79390901

IUPAC2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
SMILESCC(NC1CCN(C)C1)C(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(10(13)14)8(2)11-9-4-5-12(3)6-9/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyDUUCREVXHKCRFH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds4

About 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid

2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid (PubChem CID 79390901) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
PubChem CID79390901
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
SMILESCC(NC1CCN(C)C1)C(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(10(13)14)8(2)11-9-4-5-12(3)6-9/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyDUUCREVXHKCRFH-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]propanamide
CID 61462353
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid (CID 79390901) is 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid is CC(NC1CCN(C)C1)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
The InChIKey is DUUCREVXHKCRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(10(13)14)8(2)11-9-4-5-12(3)6-9/h7-9,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 79390901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).