4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide

C11H21N3O3 — CID 104685527

IUPAC4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide
SMILESCC(CCCN)C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C11H21N3O3/c1-8(3-2-4-12)11(16)14-5-6-17-7-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15)
InChIKeyODXPIFHKLPNOBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.93
Rot. Bonds5

About 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide

4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide (PubChem CID 104685527) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide
PubChem CID104685527
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide
SMILESCC(CCCN)C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C11H21N3O3/c1-8(3-2-4-12)11(16)14-5-6-17-7-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15)
InChIKeyODXPIFHKLPNOBL-UHFFFAOYSA-N
XLogP-0.93
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-amino-1-(3-ethylmorpholin-4-yl)-2-methylbutan-1-one
CID 80542052
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
CID 83102641
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide
CID 106312666
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768
3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
CID 83095443

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide (CID 104685527) is 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide is CC(CCCN)C(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide?
The InChIKey is ODXPIFHKLPNOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(3-2-4-12)11(16)14-5-6-17-7-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15).
What are the key properties of 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide?
4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide is sourced from PubChem (CID 104685527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).