N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide

C10H20N2O4 — CID 107865565

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CNCCO1
InChIInChI=1S/C10H20N2O4/c1-2-10(6-13,7-14)12-9(15)8-5-11-3-4-16-8/h8,11,13-14H,2-7H2,1H3,(H,12,15)
InChIKeyHBIPAYAJPFUKJR-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.78
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide (PubChem CID 107865565) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
PubChem CID107865565
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CNCCO1
InChIInChI=1S/C10H20N2O4/c1-2-10(6-13,7-14)12-9(15)8-5-11-3-4-16-8/h8,11,13-14H,2-7H2,1H3,(H,12,15)
InChIKeyHBIPAYAJPFUKJR-UHFFFAOYSA-N
XLogP-1.78
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
CID 107222342
N-(4-hydroxy-2,2-dimethylbutyl)morpholine-2-carboxamide
CID 106147940
N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
CID 119892435
N-octylmorpholine-2-carboxamide
CID 115567943
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
N-[(1-ethylcyclobutyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119782167
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
(2R)-2-(morpholine-2-carbonylamino)pentanoic acid
CID 103869931
N-(4-ethylcyclohexyl)morpholine-2-carboxamide;hydrochloride
CID 119716179

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide (CID 107865565) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide is CCC(CO)(CO)NC(=O)C1CNCCO1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
The InChIKey is HBIPAYAJPFUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-10(6-13,7-14)12-9(15)8-5-11-3-4-16-8/h8,11,13-14H,2-7H2,1H3,(H,12,15).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of -1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 107865565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).