(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid

C18H20N2O4 — CID 11989622

IUPAC(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O4/c21-17(22)15(11-13-7-3-1-4-8-13)19-20-16(18(23)24)12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)/t15-,16-/m0/s1
InChIKeyJXTFGQVTQKHXAL-HOTGVXAUSA-N
MW328.37 g/mol
LogP1.47
Rot. Bonds9

About (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid

(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid (PubChem CID 11989622) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
PubChem CID11989622
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O4/c21-17(22)15(11-13-7-3-1-4-8-13)19-20-16(18(23)24)12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)/t15-,16-/m0/s1
InChIKeyJXTFGQVTQKHXAL-HOTGVXAUSA-N
XLogP1.47
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
2-[2-(2-chloroethyl)hydrazinyl]-3-phenylpropanoic acid;hydrochloride
CID 174935425
(2S)-2-[[(E)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid
CID 70442166
CID 175223992
CID 175223992
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
CID 171561206
(2S)-2-(tert-butylamino)-3-phenylpropanoic acid;hydrochloride
CID 66836735
(2S)-2-[carboxymethyl(deuterio)amino]-3-phenylpropanoic acid
CID 88696539

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid (CID 11989622) is (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
The InChIKey is JXTFGQVTQKHXAL-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(22)15(11-13-7-3-1-4-8-13)19-20-16(18(23)24)12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.47, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid is sourced from PubChem (CID 11989622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).