2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid

C14H26N2O3 — CID 79268686

IUPAC2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
SMILESCC1CCCC(N)(C(=O)N(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10-6-5-7-14(15,8-10)12(19)16(9-11(17)18)13(2,3)4/h10H,5-9,15H2,1-4H3,(H,17,18)
InChIKeyYPKPEYQKTRPTIH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.61
Rot. Bonds3

About 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid

2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid (PubChem CID 79268686) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
PubChem CID79268686
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
SMILESCC1CCCC(N)(C(=O)N(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10-6-5-7-14(15,8-10)12(19)16(9-11(17)18)13(2,3)4/h10H,5-9,15H2,1-4H3,(H,17,18)
InChIKeyYPKPEYQKTRPTIH-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide
CID 114277119
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 64553576
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
1-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64552541
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
CID 64552529
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid (CID 79268686) is 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid is CC1CCCC(N)(C(=O)N(CC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid?
The InChIKey is YPKPEYQKTRPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-6-5-7-14(15,8-10)12(19)16(9-11(17)18)13(2,3)4/h10H,5-9,15H2,1-4H3,(H,17,18).
What are the key properties of 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid?
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).