(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid

C8H15NO2 — CID 51704154

IUPAC(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
SMILESC[C@@H](CN1CCCC1)C(=O)O
InChIInChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeySJQNPHPIINSWQH-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds3

About (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid

(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 51704154) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
PubChem CID51704154
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
SMILESC[C@@H](CN1CCCC1)C(=O)O
InChIInChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeySJQNPHPIINSWQH-ZETCQYMHSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanoic acid
CID 107405121
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 43538757
2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
4-methyl-5-pyrrolidin-1-ylpent-1-en-3-one
CID 90939236
2-methyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323010
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropanoic acid
CID 82323016
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid (CID 51704154) is (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid is C[C@@H](CN1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is SJQNPHPIINSWQH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid?
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 51704154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).