N-(4-aminobutanoyl)morpholine-4-carboxamide

C9H17N3O3 — CID 82509016

IUPACN-(4-aminobutanoyl)morpholine-4-carboxamide
SMILESNCCCC(=O)NC(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O3/c10-3-1-2-8(13)11-9(14)12-4-6-15-7-5-12/h1-7,10H2,(H,11,13,14)
InChIKeySSOFJVQSKWCZNX-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.71
Rot. Bonds3

About N-(4-aminobutanoyl)morpholine-4-carboxamide

N-(4-aminobutanoyl)morpholine-4-carboxamide (PubChem CID 82509016) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(4-aminobutanoyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutanoyl)morpholine-4-carboxamide
PubChem CID82509016
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(4-aminobutanoyl)morpholine-4-carboxamide
SMILESNCCCC(=O)NC(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O3/c10-3-1-2-8(13)11-9(14)12-4-6-15-7-5-12/h1-7,10H2,(H,11,13,14)
InChIKeySSOFJVQSKWCZNX-UHFFFAOYSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
N-(3-chloropropanoyl)-1,4-oxazepane-4-carboxamide
CID 62966590
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
N-(5-amino-2,2-dimethylpentyl)morpholine-4-carboxamide
CID 106141337
N-acetylmorpholine-4-carboxamide
CID 102407930
N-(1-amino-4-methylpentan-3-yl)morpholine-4-carboxamide
CID 106357280
7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
morpholine-4-carbohydrazide;hydrochloride
CID 138112583
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutanoyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-aminobutanoyl)morpholine-4-carboxamide (CID 82509016) is N-(4-aminobutanoyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-aminobutanoyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-aminobutanoyl)morpholine-4-carboxamide is NCCCC(=O)NC(=O)N1CCOCC1.
What is the InChIKey of N-(4-aminobutanoyl)morpholine-4-carboxamide?
The InChIKey is SSOFJVQSKWCZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-3-1-2-8(13)11-9(14)12-4-6-15-7-5-12/h1-7,10H2,(H,11,13,14).
What are the key properties of N-(4-aminobutanoyl)morpholine-4-carboxamide?
N-(4-aminobutanoyl)morpholine-4-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutanoyl)morpholine-4-carboxamide is sourced from PubChem (CID 82509016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).