2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid

C13H24N2O3 — CID 65240551

IUPAC2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCC(N)C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(14)12(18)15(2)13(9-11(16)17)7-5-4-6-8-13/h10H,3-9,14H2,1-2H3,(H,16,17)
InChIKeyFJKZHCOJUIVZRP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65240551) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65240551
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCC(N)C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(14)12(18)15(2)13(9-11(16)17)7-5-4-6-8-13/h10H,3-9,14H2,1-2H3,(H,16,17)
InChIKeyFJKZHCOJUIVZRP-UHFFFAOYSA-N
XLogP1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
CID 116678184
2-[1-[[2-[acetyl(methyl)amino]acetyl]-methylamino]cyclohexyl]acetic acid
CID 65238340
2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240709
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid (CID 65240551) is 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid is CCC(N)C(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is FJKZHCOJUIVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10(14)12(18)15(2)13(9-11(16)17)7-5-4-6-8-13/h10H,3-9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).