(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid

C8H15NO2 — CID 96735707

IUPAC(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
SMILESCC[C@H](C(=O)O)[C@H]1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-7(8(10)11)6-3-4-9-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyITYMLAQTONECIT-BQBZGAKWSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds3

About (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid

(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid (PubChem CID 96735707) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
PubChem CID96735707
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
SMILESCC[C@H](C(=O)O)[C@H]1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-7(8(10)11)6-3-4-9-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyITYMLAQTONECIT-BQBZGAKWSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
2-pyrrolidin-3-ylpentanamide
CID 140542281
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid
CID 117238153
2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
2-piperidin-3-yl-3-sulfopropanoic acid
CID 54368864
4-methyl-3-pyrrolidin-3-ylpentanoic acid
CID 82406112
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
3-[3-[3-[3-(2-carboxy-2-pyrrolidin-3-ylethyl)phenyl]propyl]phenyl]-2-pyrrolidin-3-ylpropanoic acid
CID 176760757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid?
The IUPAC name of (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid (CID 96735707) is (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid?
The canonical SMILES for (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid is CC[C@H](C(=O)O)[C@H]1CCNC1.
What is the InChIKey of (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid?
The InChIKey is ITYMLAQTONECIT-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-7(8(10)11)6-3-4-9-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid?
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid is sourced from PubChem (CID 96735707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).