2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid

C20H30N2O3 — CID 122120195

IUPAC2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)O
InChIInChI=1S/C20H30N2O3/c1-16(19(24)25)13-22(2)14-18(23)21-15-20(11-7-4-8-12-20)17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyNZAOVMLDKOEZFH-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.66
Rot. Bonds8

About 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid (PubChem CID 122120195) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
PubChem CID122120195
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)O
InChIInChI=1S/C20H30N2O3/c1-16(19(24)25)13-22(2)14-18(23)21-15-20(11-7-4-8-12-20)17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyNZAOVMLDKOEZFH-UHFFFAOYSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid with MolForge

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Related Compounds

2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 47545886
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 87016543
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
CID 44655127
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 46700398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid (CID 122120195) is 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid is CC(CN(C)CC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid?
The InChIKey is NZAOVMLDKOEZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(19(24)25)13-22(2)14-18(23)21-15-20(11-7-4-8-12-20)17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid has a molecular weight of 346.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid is sourced from PubChem (CID 122120195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).