2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid

C13H24N2O3 — CID 81080778

IUPAC2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
SMILESCC(CN)CC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(9-14)7-11(16)15-13(8-12(17)18)5-3-2-4-6-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyIKUYWSMGEVMORS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds6

About 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid

2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid (PubChem CID 81080778) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
PubChem CID81080778
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
SMILESCC(CN)CC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(9-14)7-11(16)15-13(8-12(17)18)5-3-2-4-6-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyIKUYWSMGEVMORS-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
CID 64685700
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
CID 62552043
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid (CID 81080778) is 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid is CC(CN)CC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid?
The InChIKey is IKUYWSMGEVMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(9-14)7-11(16)15-13(8-12(17)18)5-3-2-4-6-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 81080778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).