(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide

C10H20N2O4 — CID 107852747

IUPAC(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)[C@@H]1CCCCN1
InChIInChI=1S/C10H20N2O4/c13-5-10(6-14,7-15)12-9(16)8-3-1-2-4-11-8/h8,11,13-15H,1-7H2,(H,12,16)/t8-/m0/s1
InChIKeyJYRLHVSYCDZRKK-QMMMGPOBSA-N
MW232.28 g/mol
LogP-2.04
Rot. Bonds5

About (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide

(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 107852747) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
PubChem CID107852747
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)[C@@H]1CCCCN1
InChIInChI=1S/C10H20N2O4/c13-5-10(6-14,7-15)12-9(16)8-3-1-2-4-11-8/h8,11,13-15H,1-7H2,(H,12,16)/t8-/m0/s1
InChIKeyJYRLHVSYCDZRKK-QMMMGPOBSA-N
XLogP-2.04
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylpentan-3-yl)piperidine-2-carboxamide
CID 65039048
N-(1-hydroxy-2-phenylpropan-2-yl)piperidine-2-carboxamide
CID 105058124
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide
CID 107852767
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
CID 106188267
2-(azepane-2-carbonylamino)-2-ethylbutanoic acid
CID 79804530
methyl 2-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoate
CID 93268446
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61159683
azepane-2-carbohydrazide
CID 64570757
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810
N-cyclopentylazepane-2-carboxamide
CID 64564743

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide (CID 107852747) is (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide is O=C(NC(CO)(CO)CO)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is JYRLHVSYCDZRKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c13-5-10(6-14,7-15)12-9(16)8-3-1-2-4-11-8/h8,11,13-15H,1-7H2,(H,12,16)/t8-/m0/s1.
What are the key properties of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide?
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of -2.04, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 107852747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).