4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide

C13H25N3O3 — CID 83102641

IUPAC4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
SMILESCC(C)C[C@H](CN)CC(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C13H25N3O3/c1-9(2)5-10(7-14)6-12(17)16-3-4-19-8-11(16)13(15)18/h9-11H,3-8,14H2,1-2H3,(H2,15,18)/t10-,11?/m0/s1
InChIKeyBOCIMCRXZMEHPB-VUWPPUDQSA-N
MW271.36 g/mol
LogP-0.29
Rot. Bonds6

About 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide

4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide (PubChem CID 83102641) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
PubChem CID83102641
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
SMILESCC(C)C[C@H](CN)CC(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C13H25N3O3/c1-9(2)5-10(7-14)6-12(17)16-3-4-19-8-11(16)13(15)18/h9-11H,3-8,14H2,1-2H3,(H2,15,18)/t10-,11?/m0/s1
InChIKeyBOCIMCRXZMEHPB-VUWPPUDQSA-N
XLogP-0.29
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097997
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide
CID 104685527
3-(aminomethyl)-5-methyl-1-(oxolan-3-yl)hexan-1-one
CID 116576825
3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
CID 83095443
(3S)-3-(aminomethyl)-1-(2,3-dimethylthiomorpholin-4-yl)-5-methylhexan-1-one
CID 104874517
(3S)-3-(aminomethyl)-5-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-1-one
CID 66384023
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide (CID 83102641) is 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide is CC(C)C[C@H](CN)CC(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide?
The InChIKey is BOCIMCRXZMEHPB-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)5-10(7-14)6-12(17)16-3-4-19-8-11(16)13(15)18/h9-11H,3-8,14H2,1-2H3,(H2,15,18)/t10-,11?/m0/s1.
What are the key properties of 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide?
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide is sourced from PubChem (CID 83102641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).