(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid

C19H20N2O4 — CID 71819133

IUPAC(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid
SMILESN[C@H](Cc1ccccc1)C(=O)CC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H20N2O4/c20-15(11-13-7-3-1-4-8-13)16(22)12-17(23)21-18(19(24)25)14-9-5-2-6-10-14/h1-10,15,18H,11-12,20H2,(H,21,23)(H,24,25)/t15-,18+/m1/s1
InChIKeyIFXIMUGGDPSTAO-QAPCUYQASA-N
MW340.38 g/mol
LogP1.46
Rot. Bonds8

About (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid

(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid (PubChem CID 71819133) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid
PubChem CID71819133
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid
SMILESN[C@H](Cc1ccccc1)C(=O)CC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H20N2O4/c20-15(11-13-7-3-1-4-8-13)16(22)12-17(23)21-18(19(24)25)14-9-5-2-6-10-14/h1-10,15,18H,11-12,20H2,(H,21,23)(H,24,25)/t15-,18+/m1/s1
InChIKeyIFXIMUGGDPSTAO-QAPCUYQASA-N
XLogP1.46
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 71818996
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 71819130
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(3S)-3-amino-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 139799489
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid (CID 71819133) is (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid is N[C@H](Cc1ccccc1)C(=O)CC(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid?
The InChIKey is IFXIMUGGDPSTAO-QAPCUYQASA-N. The full InChI is InChI=1S/C19H20N2O4/c20-15(11-13-7-3-1-4-8-13)16(22)12-17(23)21-18(19(24)25)14-9-5-2-6-10-14/h1-10,15,18H,11-12,20H2,(H,21,23)(H,24,25)/t15-,18+/m1/s1.
What are the key properties of (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid?
(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid has a molecular weight of 340.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 71819133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).