N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide

C9H19N3O3 — CID 79152510

IUPACN-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide
SMILESCC(O)C(N)CNC(=O)N1CCOCC1
InChIInChI=1S/C9H19N3O3/c1-7(13)8(10)6-11-9(14)12-2-4-15-5-3-12/h7-8,13H,2-6,10H2,1H3,(H,11,14)
InChIKeyPYEFGKAJYUTRSA-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.26
Rot. Bonds3

About N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide

N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide (PubChem CID 79152510) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide
PubChem CID79152510
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide
SMILESCC(O)C(N)CNC(=O)N1CCOCC1
InChIInChI=1S/C9H19N3O3/c1-7(13)8(10)6-11-9(14)12-2-4-15-5-3-12/h7-8,13H,2-6,10H2,1H3,(H,11,14)
InChIKeyPYEFGKAJYUTRSA-UHFFFAOYSA-N
XLogP-1.26
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941
N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
N-(2,3-dimethylbutyl)morpholine-4-carboxamide
CID 115642976
N-(2-hydroxy-4-methylpentyl)morpholine-4-carboxamide
CID 103632058
N-[2-(2-hydroxypropylamino)ethyl]morpholine-4-carboxamide
CID 104593900
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
N-(3-methyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152408
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
CID 107473765
N-propylmorpholine-4-carboxamide
CID 3410822
N-(2-amino-2-oxoethyl)morpholine-4-carboxamide
CID 115575796
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide (CID 79152510) is N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide is CC(O)C(N)CNC(=O)N1CCOCC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide?
The InChIKey is PYEFGKAJYUTRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(13)8(10)6-11-9(14)12-2-4-15-5-3-12/h7-8,13H,2-6,10H2,1H3,(H,11,14).
What are the key properties of N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide?
N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide has a molecular weight of 217.27 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide is sourced from PubChem (CID 79152510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).