2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid

C15H27NO2 — CID 79285316

IUPAC2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H27NO2/c1-5-8-16(10-15(17)18)14-9-12(4)6-7-13(14)11(2)3/h5,11-14H,1,6-10H2,2-4H3,(H,17,18)
InChIKeyXNCIBBHDMPAQAM-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.02
Rot. Bonds6

About 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid

2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid (PubChem CID 79285316) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
PubChem CID79285316
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H27NO2/c1-5-8-16(10-15(17)18)14-9-12(4)6-7-13(14)11(2)3/h5,11-14H,1,6-10H2,2-4H3,(H,17,18)
InChIKeyXNCIBBHDMPAQAM-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285353
2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 65057481
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
2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
CID 79275648
2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid
CID 106874536
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
2-[(4,4-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285257
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid
CID 105366214
5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc
CID 70506302
2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylacetic acid
CID 170995164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid (CID 79285316) is 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C1CC(C)CCC1C(C)C.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid?
The InChIKey is XNCIBBHDMPAQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-8-16(10-15(17)18)14-9-12(4)6-7-13(14)11(2)3/h5,11-14H,1,6-10H2,2-4H3,(H,17,18).
What are the key properties of 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid?
2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79285316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).