(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C10H16N2O5 — CID 104965003

IUPAC(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-5(13)8(10(16)17)11-9(15)6-3-7(14)12(2)4-6/h5-6,8,13H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t5-,6?,8+/m1/s1
InChIKeyZNKWOAYATJPPSH-UHFKNVDDSA-N
MW244.25 g/mol
LogP-1.59
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 104965003) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID104965003
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-5(13)8(10(16)17)11-9(15)6-3-7(14)12(2)4-6/h5-6,8,13H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t5-,6?,8+/m1/s1
InChIKeyZNKWOAYATJPPSH-UHFKNVDDSA-N
XLogP-1.59
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
tert-butyl (2S)-3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoate
CID 80703356
2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61015031
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
(3R)-1-methyl-5-oxo-N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 95906239

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 104965003) is (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is ZNKWOAYATJPPSH-UHFKNVDDSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-5(13)8(10(16)17)11-9(15)6-3-7(14)12(2)4-6/h5-6,8,13H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t5-,6?,8+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 244.25 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104965003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).