3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid

C10H18N2O4 — CID 61226028

IUPAC3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)C(C)O)C1
InChIInChI=1S/C10H18N2O4/c1-6-3-4-12(5-6)10(16)11-8(7(2)13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyHISWQVWKJVOIIB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds3

About 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid

3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 61226028) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID61226028
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)C(C)O)C1
InChIInChI=1S/C10H18N2O4/c1-6-3-4-12(5-6)10(16)11-8(7(2)13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyHISWQVWKJVOIIB-UHFFFAOYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 104966563
(2S,3R)-2-[(3-aminopiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965949
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
(2S,3R)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxybutanoic acid
CID 104966476
(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103197172
(2R)-3-methyl-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 79009778
(2S,3R)-3-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 104966362
3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
CID 115535272
(2S)-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 104940992
3-hydroxy-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408514

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 61226028) is 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid is CC1CCN(C(=O)NC(C(=O)O)C(C)O)C1.
What is the InChIKey of 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is HISWQVWKJVOIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-3-4-12(5-6)10(16)11-8(7(2)13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61226028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).