(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid

C13H18N2O2 — CID 143078170

IUPAC(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid
SMILESCNC(/C=C(\N)CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-15-12(13(16)17)9-11(14)8-7-10-5-3-2-4-6-10/h2-6,9,12,15H,7-8,14H2,1H3,(H,16,17)/b11-9-
InChIKeyYWJPKRRUIZHGKN-LUAWRHEFSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds6

About (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid

(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid (PubChem CID 143078170) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid
PubChem CID143078170
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid
SMILESCNC(/C=C(\N)CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-15-12(13(16)17)9-11(14)8-7-10-5-3-2-4-6-10/h2-6,9,12,15H,7-8,14H2,1H3,(H,16,17)/b11-9-
InChIKeyYWJPKRRUIZHGKN-LUAWRHEFSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
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CID 160557542
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
benzyl (2R)-2-amino-3-(methylamino)propanoate
CID 95383646
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
CID 95289169
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
methanamine;1-phenylpentan-3-one
CID 167492251
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
phenol;4-phenylbutan-2-one
CID 160537429

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid?
The IUPAC name of (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid (CID 143078170) is (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid.
What is the SMILES notation for (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid?
The canonical SMILES for (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid is CNC(/C=C(\N)CCc1ccccc1)C(=O)O.
What is the InChIKey of (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid?
The InChIKey is YWJPKRRUIZHGKN-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-12(13(16)17)9-11(14)8-7-10-5-3-2-4-6-10/h2-6,9,12,15H,7-8,14H2,1H3,(H,16,17)/b11-9-.
What are the key properties of (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid?
(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid is sourced from PubChem (CID 143078170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).