2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid

C14H18N2O5 — CID 558649

IUPAC2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyXHHOHZPNYFQJKL-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.01
Rot. Bonds8

About 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid

2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid (PubChem CID 558649) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
PubChem CID558649
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyXHHOHZPNYFQJKL-UHFFFAOYSA-N
XLogP-0.01
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid (CID 558649) is 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid is NC(CCC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid?
The InChIKey is XHHOHZPNYFQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid?
2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 558649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).