2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid

C15H27NO2 — CID 65057481

IUPAC2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
SMILESCC1CCC(C(C)C)C(N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)13-7-4-11(3)8-14(13)16(9-15(17)18)12-5-6-12/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyANAZCCIWJRSDRA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds5

About 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid

2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid (PubChem CID 65057481) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
PubChem CID65057481
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
SMILESCC1CCC(C(C)C)C(N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)13-7-4-11(3)8-14(13)16(9-15(17)18)12-5-6-12/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyANAZCCIWJRSDRA-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285316
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 106621811
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
3-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
CID 65054451
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylacetic acid
CID 170995164
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121112

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid (CID 65057481) is 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid is CC1CCC(C(C)C)C(N(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid?
The InChIKey is ANAZCCIWJRSDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)13-7-4-11(3)8-14(13)16(9-15(17)18)12-5-6-12/h10-14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid?
2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65057481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).