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

C12H21N3O5 — CID 103197172

IUPAC(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCNC(=O)C1CCCN(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C1
InChIInChI=1S/C12H21N3O5/c1-7(16)9(11(18)19)14-12(20)15-5-3-4-8(6-15)10(17)13-2/h7-9,16H,3-6H2,1-2H3,(H,13,17)(H,14,20)(H,18,19)/t7-,8?,9+/m1/s1
InChIKeyIVADCOCTUADWAK-NBXIYJJMSA-N
MW287.32 g/mol
LogP-1.01
Rot. Bonds4

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

(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 103197172) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID103197172
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCNC(=O)C1CCCN(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C1
InChIInChI=1S/C12H21N3O5/c1-7(16)9(11(18)19)14-12(20)15-5-3-4-8(6-15)10(17)13-2/h7-9,16H,3-6H2,1-2H3,(H,13,17)(H,14,20)(H,18,19)/t7-,8?,9+/m1/s1
InChIKeyIVADCOCTUADWAK-NBXIYJJMSA-N
XLogP-1.01
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
CID 115535272
(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)-3-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 104966362
3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61226028
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
(2S,3R)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxybutanoic acid
CID 104966476
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 104966563
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid (CID 103197172) is (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid is CNC(=O)C1CCCN(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is IVADCOCTUADWAK-NBXIYJJMSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-7(16)9(11(18)19)14-12(20)15-5-3-4-8(6-15)10(17)13-2/h7-9,16H,3-6H2,1-2H3,(H,13,17)(H,14,20)(H,18,19)/t7-,8?,9+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of -1.01, 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-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 103197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).