N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide

C9H18N2O3 — CID 107222342

IUPACN-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CNCCO1
InChIInChI=1S/C9H18N2O3/c1-2-7(6-12)11-9(13)8-5-10-3-4-14-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyGQXQBKNYMMDYCY-JAMMHHFISA-N
MW202.25 g/mol
LogP-1.14
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide (PubChem CID 107222342) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
PubChem CID107222342
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CNCCO1
InChIInChI=1S/C9H18N2O3/c1-2-7(6-12)11-9(13)8-5-10-3-4-14-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyGQXQBKNYMMDYCY-JAMMHHFISA-N
XLogP-1.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-morpholin-2-ylacetamide
CID 107222428
(2R)-2-(morpholine-2-carbonylamino)pentanoic acid
CID 103869931
N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119855874
N-[1-(2-ethoxyphenyl)propyl]morpholine-2-carboxamide
CID 119721402
N-[(2R)-1-amino-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 130549246
(2R)-N-(1-cyclopropylethyl)morpholine-2-carboxamide
CID 131110683
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
N-(1-morpholin-4-yl-1-oxobutan-2-yl)morpholine-2-carboxamide
CID 119810252
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
CID 107865565
methyl (2R)-2-(morpholine-2-carbonylamino)propanoate
CID 119781299
N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide (CID 107222342) is N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide is CC[C@@H](CO)NC(=O)C1CNCCO1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide?
The InChIKey is GQXQBKNYMMDYCY-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-7(6-12)11-9(13)8-5-10-3-4-14-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/t7-,8?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 107222342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).