5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

C13H16N2O5 — CID 152765825

IUPAC5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESNC(=O)CC(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O5/c14-11(16)6-10(7-12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)
InChIKeyHPZHOMSWIIISEK-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.63
Rot. Bonds7

About 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 152765825) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID152765825
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESNC(=O)CC(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O5/c14-11(16)6-10(7-12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)
InChIKeyHPZHOMSWIIISEK-UHFFFAOYSA-N
XLogP0.63
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 131859948
benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
CID 67715838
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
[(2R)-3-carboxy-2-(phenylmethoxycarbonylamino)propyl]-trimethylazanium
CID 13393135
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942
benzyl N-[(2S)-4-amino-1-(dimethylamino)-1,4-dioxobutan-2-yl]carbamate
CID 102329953
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 130469519

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 152765825) is 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid is NC(=O)CC(CC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is HPZHOMSWIIISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c14-11(16)6-10(7-12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18).
What are the key properties of 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 152765825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).