(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid

C9H16N2O4 — CID 54230689

IUPAC(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid
SMILESC[C@@H]1CCCN1C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6-3-2-4-11(6)9(14)15-5-7(10)8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyQJASXRFDHFDEMM-RQJHMYQMSA-N
MW216.24 g/mol
LogP0.02
Rot. Bonds3

About (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid

(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid (PubChem CID 54230689) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid
PubChem CID54230689
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid
SMILESC[C@@H]1CCCN1C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6-3-2-4-11(6)9(14)15-5-7(10)8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyQJASXRFDHFDEMM-RQJHMYQMSA-N
XLogP0.02
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid (CID 54230689) is (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid is C[C@@H]1CCCN1C(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid?
The InChIKey is QJASXRFDHFDEMM-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6-3-2-4-11(6)9(14)15-5-7(10)8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid?
(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid is sourced from PubChem (CID 54230689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).