(2S)-2-amino-4-oxopentanoic acid;benzene

C11H15NO3 — CID 143542202

IUPAC(2S)-2-amino-4-oxopentanoic acid;benzene
SMILESCC(=O)C[C@H](N)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C5H9NO3/c1-2-4-6-5-3-1;1-3(7)2-4(6)5(8)9/h1-6H;4H,2,6H2,1H3,(H,8,9)/t;4-/m.0/s1
InChIKeyNHIILERXKGVYEC-VWMHFEHESA-N
MW209.25 g/mol
LogP1.06
Rot. Bonds3

About (2S)-2-amino-4-oxopentanoic acid;benzene

(2S)-2-amino-4-oxopentanoic acid;benzene (PubChem CID 143542202) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-amino-4-oxopentanoic acid;benzene.

Molecular Properties

Compound Name(2S)-2-amino-4-oxopentanoic acid;benzene
PubChem CID143542202
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-amino-4-oxopentanoic acid;benzene
SMILESCC(=O)C[C@H](N)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C5H9NO3/c1-2-4-6-5-3-1;1-3(7)2-4(6)5(8)9/h1-6H;4H,2,6H2,1H3,(H,8,9)/t;4-/m.0/s1
InChIKeyNHIILERXKGVYEC-VWMHFEHESA-N
XLogP1.06
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 194456
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CID 18362167
2-Amino-3-methylbutanoic acid;benzene
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2-Aminopropanoic acid;benzene
CID 18362175
2-Amino-4-hydroxybutanoic acid;benzene
CID 23367755
2-Aminopentanoic acid;benzene
CID 67127209
(2S)-2-amino-4-oxo-6-phenylhex-5-enoic acid
CID 67777794
(2S)-2-amino-3-methylbutanoic acid;benzene
CID 69102073
2-Aminopentanedioic acid;benzene
CID 69797343
Benzene;1-hydroxy-1-oxo-2-(sulfinatoamino)hexane
CID 70116767
(2R)-2-amino-3-phenyltellanylpropanoic acid
CID 71423372

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxopentanoic acid;benzene?
The IUPAC name of (2S)-2-amino-4-oxopentanoic acid;benzene (CID 143542202) is (2S)-2-amino-4-oxopentanoic acid;benzene.
What is the SMILES notation for (2S)-2-amino-4-oxopentanoic acid;benzene?
The canonical SMILES for (2S)-2-amino-4-oxopentanoic acid;benzene is CC(=O)C[C@H](N)C(=O)O.c1ccccc1.
What is the InChIKey of (2S)-2-amino-4-oxopentanoic acid;benzene?
The InChIKey is NHIILERXKGVYEC-VWMHFEHESA-N. The full InChI is InChI=1S/C6H6.C5H9NO3/c1-2-4-6-5-3-1;1-3(7)2-4(6)5(8)9/h1-6H;4H,2,6H2,1H3,(H,8,9)/t;4-/m.0/s1.
What are the key properties of (2S)-2-amino-4-oxopentanoic acid;benzene?
(2S)-2-amino-4-oxopentanoic acid;benzene has a molecular weight of 209.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxopentanoic acid;benzene is sourced from PubChem (CID 143542202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).