4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid

C14H18N2O5 — CID 175375259

IUPAC4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid
SMILESNCC(=O)C(OC(=O)C(N)CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c15-8-11(17)13(9-4-2-1-3-5-9)21-14(20)10(16)6-7-12(18)19/h1-5,10,13H,6-8,15-16H2,(H,18,19)
InChIKeyFWFHFXJZIQRWGD-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.01
Rot. Bonds8

About 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid

4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid (PubChem CID 175375259) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid
PubChem CID175375259
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid
SMILESNCC(=O)C(OC(=O)C(N)CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c15-8-11(17)13(9-4-2-1-3-5-9)21-14(20)10(16)6-7-12(18)19/h1-5,10,13H,6-8,15-16H2,(H,18,19)
InChIKeyFWFHFXJZIQRWGD-UHFFFAOYSA-N
XLogP-0.01
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
CID 138521747
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
(2-amino-4-carboxybutanoyl)oxymethyl-triphenylphosphanium bromide
CID 138521750
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
CID 138521982
(2S)-2-aminopentanedioic acid;2-hydroxy-2-phenylacetic acid
CID 70362572
2-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-phenylacetic acid
CID 122589190
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
3-(2-amino-3-phenylpropanoyl)oxy-2-oxo-3-phenylpropanoic acid
CID 141289987
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
(2S)-2-aminopentanedioic acid;toluene
CID 67117620
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
(2S)-2-aminopentanedioic acid;anisole
CID 70447699

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid (CID 175375259) is 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid is NCC(=O)C(OC(=O)C(N)CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid?
The InChIKey is FWFHFXJZIQRWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-8-11(17)13(9-4-2-1-3-5-9)21-14(20)10(16)6-7-12(18)19/h1-5,10,13H,6-8,15-16H2,(H,18,19).
What are the key properties of 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid?
4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 175375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).