2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid

C15H22N2O2 — CID 63911523

IUPAC2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
SMILESCCN(CC(N)(C(=O)O)C1CC1)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-3-17(13-6-4-5-11(2)9-13)10-15(16,14(18)19)12-7-8-12/h4-6,9,12H,3,7-8,10,16H2,1-2H3,(H,18,19)
InChIKeyWYPVHNMJYMGYTF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid

2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid (PubChem CID 63911523) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
PubChem CID63911523
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
SMILESCCN(CC(N)(C(=O)O)C1CC1)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-3-17(13-6-4-5-11(2)9-13)10-15(16,14(18)19)12-7-8-12/h4-6,9,12H,3,7-8,10,16H2,1-2H3,(H,18,19)
InChIKeyWYPVHNMJYMGYTF-UHFFFAOYSA-N
XLogP2.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821
1-N-ethyl-2-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 61077135
2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid (CID 63911523) is 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid is CCN(CC(N)(C(=O)O)C1CC1)c1cccc(C)c1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid?
The InChIKey is WYPVHNMJYMGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(13-6-4-5-11(2)9-13)10-15(16,14(18)19)12-7-8-12/h4-6,9,12H,3,7-8,10,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid?
2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid is sourced from PubChem (CID 63911523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).