(2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid

C7H14N2O2 — CID 56971813

IUPAC(2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid
SMILESN[C@@H](CC1CCNC1)C(=O)O
InChIInChI=1S/C7H14N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h5-6,9H,1-4,8H2,(H,10,11)/t5?,6-/m0/s1
InChIKeyUJGNCYAOIKEUNK-GDVGLLTNSA-N
MW158.20 g/mol
LogP-0.60
Rot. Bonds3

About (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid

(2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid (PubChem CID 56971813) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid
PubChem CID56971813
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid
SMILESN[C@@H](CC1CCNC1)C(=O)O
InChIInChI=1S/C7H14N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h5-6,9H,1-4,8H2,(H,10,11)/t5?,6-/m0/s1
InChIKeyUJGNCYAOIKEUNK-GDVGLLTNSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid (CID 56971813) is (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid is N[C@@H](CC1CCNC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid?
The InChIKey is UJGNCYAOIKEUNK-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h5-6,9H,1-4,8H2,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid?
(2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyrrolidin-3-ylpropanoic acid is sourced from PubChem (CID 56971813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).