2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid

C14H27NO2 — CID 65087703

IUPAC2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-11(2)15(10-13(16)17)12-6-5-8-14(3,4)9-7-12/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyLUBWBQOTWUSCJP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds4

About 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid

2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid (PubChem CID 65087703) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
PubChem CID65087703
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-11(2)15(10-13(16)17)12-6-5-8-14(3,4)9-7-12/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyLUBWBQOTWUSCJP-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]propanoic acid
CID 65087705
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785
3-[(3,3-dimethylcyclopentyl)-propan-2-ylamino]propanoic acid
CID 80698919
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65087501
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565402
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid
CID 65056706
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 79863209

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid (CID 65087703) is 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C1CCCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid?
The InChIKey is LUBWBQOTWUSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)15(10-13(16)17)12-6-5-8-14(3,4)9-7-12/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid?
2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 65087703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).