(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 104966563

IUPAC(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCN(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-4-9-5-6-14(7-9)12(18)13-10(8(2)15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8-,9?,10+/m1/s1
InChIKeyHFKXHTQREAATHY-FIBVVXLUSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 104966563) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID104966563
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCN(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-4-9-5-6-14(7-9)12(18)13-10(8(2)15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8-,9?,10+/m1/s1
InChIKeyHFKXHTQREAATHY-FIBVVXLUSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61226028
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
(2S,3R)-2-[(3-aminopiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965949
3-hydroxy-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408514
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
2-methyl-3-oxo-3-(3-propylpyrrolidin-1-yl)propanoic acid
CID 114898961
(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103197172
(2S,3R)-2-[(2-ethylthiomorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966637
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 104966563) is (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid is CCCC1CCN(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is HFKXHTQREAATHY-FIBVVXLUSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-9-5-6-14(7-9)12(18)13-10(8(2)15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8-,9?,10+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104966563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).