(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid

C11H19N3O5 — CID 104966339

IUPAC(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(15)9(10(17)18)13-11(19)12-7-3-4-8(16)14(2)5-7/h6-7,9,15H,3-5H2,1-2H3,(H,17,18)(H2,12,13,19)/t6-,7?,9+/m1/s1
InChIKeySLNUWZYRMLCHFM-YUTBPMSOSA-N
MW273.29 g/mol
LogP-1.26
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid

(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 104966339) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
PubChem CID104966339
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(15)9(10(17)18)13-11(19)12-7-3-4-8(16)14(2)5-7/h6-7,9,15H,3-5H2,1-2H3,(H,17,18)(H2,12,13,19)/t6-,7?,9+/m1/s1
InChIKeySLNUWZYRMLCHFM-YUTBPMSOSA-N
XLogP-1.26
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64670249
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572
2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 103253002
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid (CID 104966339) is (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid is C[C@@H](O)[C@H](NC(=O)NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is SLNUWZYRMLCHFM-YUTBPMSOSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(15)9(10(17)18)13-11(19)12-7-3-4-8(16)14(2)5-7/h6-7,9,15H,3-5H2,1-2H3,(H,17,18)(H2,12,13,19)/t6-,7?,9+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 104966339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).