(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid

C13H23N3O5 — CID 107823552

IUPAC(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N[C@H](CCO)C(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c1-15(2)13(21)16-6-3-9(4-7-16)11(18)14-10(5-8-17)12(19)20/h9-10,17H,3-8H2,1-2H3,(H,14,18)(H,19,20)/t10-/m1/s1
InChIKeyDUDNKFMXGRRRNL-SNVBAGLBSA-N
MW301.34 g/mol
LogP-0.67
Rot. Bonds5

About (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 107823552) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
PubChem CID107823552
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N[C@H](CCO)C(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c1-15(2)13(21)16-6-3-9(4-7-16)11(18)14-10(5-8-17)12(19)20/h9-10,17H,3-8H2,1-2H3,(H,14,18)(H,19,20)/t10-/m1/s1
InChIKeyDUDNKFMXGRRRNL-SNVBAGLBSA-N
XLogP-0.67
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212494
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
2-[(1-acetylpiperidine-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108792200
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid (CID 107823552) is (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid is CN(C)C(=O)N1CCC(C(=O)N[C@H](CCO)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is DUDNKFMXGRRRNL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-15(2)13(21)16-6-3-9(4-7-16)11(18)14-10(5-8-17)12(19)20/h9-10,17H,3-8H2,1-2H3,(H,14,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107823552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).