4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid

C15H28N2O3 — CID 64552529

IUPAC4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
SMILESCC1CCCC(N)(C(=O)N(CCCC(=O)O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)17(9-5-7-13(18)19)14(20)15(16)8-4-6-12(3)10-15/h11-12H,4-10,16H2,1-3H3,(H,18,19)
InChIKeySIYUVGQLAXEZIY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.00
Rot. Bonds6

About 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid

4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 64552529) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
PubChem CID64552529
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
SMILESCC1CCCC(N)(C(=O)N(CCCC(=O)O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)17(9-5-7-13(18)19)14(20)15(16)8-4-6-12(3)10-15/h11-12H,4-10,16H2,1-3H3,(H,18,19)
InChIKeySIYUVGQLAXEZIY-UHFFFAOYSA-N
XLogP2.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid with MolForge

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Related Compounds

1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64550859
3-[(1-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
CID 61161466
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclohexane-1-carboxamide
CID 64549832
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
CID 64549829
1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64549410
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid (CID 64552529) is 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid is CC1CCCC(N)(C(=O)N(CCCC(=O)O)C(C)C)C1.
What is the InChIKey of 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is SIYUVGQLAXEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)17(9-5-7-13(18)19)14(20)15(16)8-4-6-12(3)10-15/h11-12H,4-10,16H2,1-3H3,(H,18,19).
What are the key properties of 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid?
4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 64552529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).