1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide

C12H21N3O3 — CID 71218807

IUPAC1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide
SMILESCC(=O)[C@H](CC(N)=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21N3O3/c1-8(16)9(7-10(13)17)15-11(18)12(14)5-3-2-4-6-12/h9H,2-7,14H2,1H3,(H2,13,17)(H,15,18)/t9-/m0/s1
InChIKeyFDUWGLOXGIASIP-VIFPVBQESA-N
MW255.32 g/mol
LogP-0.40
Rot. Bonds5

About 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide

1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide (PubChem CID 71218807) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide
PubChem CID71218807
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide
SMILESCC(=O)[C@H](CC(N)=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21N3O3/c1-8(16)9(7-10(13)17)15-11(18)12(14)5-3-2-4-6-12/h9H,2-7,14H2,1H3,(H2,13,17)(H,15,18)/t9-/m0/s1
InChIKeyFDUWGLOXGIASIP-VIFPVBQESA-N
XLogP-0.40
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
1-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 93315430
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 10567712
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 106161442
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61160012
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 82945894

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide (CID 71218807) is 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide is CC(=O)[C@H](CC(N)=O)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is FDUWGLOXGIASIP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(16)9(7-10(13)17)15-11(18)12(14)5-3-2-4-6-12/h9H,2-7,14H2,1H3,(H2,13,17)(H,15,18)/t9-/m0/s1.
What are the key properties of 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide?
1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71218807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).