(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

C13H17N3O5 — CID 61200031

IUPAC(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOc1cccc(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-21-9-4-2-3-8(7-9)15-13(20)16-10(12(18)19)5-6-11(14)17/h2-4,7,10H,5-6H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t10-/m0/s1
InChIKeyYIUOOFCHGFTFMH-JTQLQIEISA-N
MW295.30 g/mol
LogP0.54
Rot. Bonds7

About (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 61200031) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID61200031
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOc1cccc(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-21-9-4-2-3-8(7-9)15-13(20)16-10(12(18)19)5-6-11(14)17/h2-4,7,10H,5-6H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t10-/m0/s1
InChIKeyYIUOOFCHGFTFMH-JTQLQIEISA-N
XLogP0.54
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
CID 61191979
2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3326622
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(3-methoxyphenyl)urea
CID 76934652
(2S)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
(2S)-2-[(3-bromophenyl)carbamoylamino]pentanedioic acid
CID 61190320
1-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(3-methoxyphenyl)urea
CID 77038240
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (CID 61200031) is (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is COc1cccc(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)c1.
What is the InChIKey of (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is YIUOOFCHGFTFMH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-9-4-2-3-8(7-9)15-13(20)16-10(12(18)19)5-6-11(14)17/h2-4,7,10H,5-6H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t10-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 295.30 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61200031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).