5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid

C12H14N2O5 — CID 23278909

IUPAC5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H14N2O5/c13-10(15)7-6-9(11(16)17)14-12(18)19-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyFYLHYYPXTDPXRB-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.49
Rot. Bonds6

About 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid

5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid (PubChem CID 23278909) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
PubChem CID23278909
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H14N2O5/c13-10(15)7-6-9(11(16)17)14-12(18)19-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyFYLHYYPXTDPXRB-UHFFFAOYSA-N
XLogP0.49
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960
(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 176911525
(2S)-5-(diaminomethylideneamino)-2-(phenoxycarbonylamino)pentanoic acid
CID 146472259
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
CID 68604008
CID 68604008
dibenzyl (2S)-2-(phenoxycarbonylamino)pentanedioate
CID 14420383
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2S)-2-(phenoxycarbonylamino)-3-pyrazol-1-ylpropanoic acid
CID 58697017

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid (CID 23278909) is 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid is NC(=O)CCC(NC(=O)Oc1ccccc1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
The InChIKey is FYLHYYPXTDPXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-10(15)7-6-9(11(16)17)14-12(18)19-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17).
What are the key properties of 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 23278909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).