1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid

C14H24N2O3 — CID 79853770

IUPAC1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)CC2(N)CCC2)(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-4-2-7-14(8-10,12(18)19)16-11(17)9-13(15)5-3-6-13/h10H,2-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyQYXPIQQFUPKRIU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.41
Rot. Bonds4

About 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid

1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 79853770) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID79853770
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)CC2(N)CCC2)(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-4-2-7-14(8-10,12(18)19)16-11(17)9-13(15)5-3-6-13/h10H,2-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyQYXPIQQFUPKRIU-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 113382104
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087
3-methyl-1-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103205912
1-[(2-amino-3-methylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61293194
1-[(1-amino-1-oxopropan-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114988539
3-methyl-1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 61291446
1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 76897664
1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 64823648

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid (CID 79853770) is 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)CC2(N)CCC2)(C(=O)O)C1.
What is the InChIKey of 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is QYXPIQQFUPKRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-4-2-7-14(8-10,12(18)19)16-11(17)9-13(15)5-3-6-13/h10H,2-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79853770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).