(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid

C12H14N2O5 — CID 104898888

IUPAC(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
SMILESCOC(=O)CNC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O5/c1-19-9(15)7-13-12(18)14-10(11(16)17)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m0/s1
InChIKeyJUXLXTVVVLMKOR-JTQLQIEISA-N
MW266.25 g/mol
LogP0.28
Rot. Bonds5

About (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid

(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid (PubChem CID 104898888) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
PubChem CID104898888
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
SMILESCOC(=O)CNC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O5/c1-19-9(15)7-13-12(18)14-10(11(16)17)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m0/s1
InChIKeyJUXLXTVVVLMKOR-JTQLQIEISA-N
XLogP0.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61198379
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-(3-methylbut-2-enylcarbamoylamino)-2-phenylacetic acid
CID 106191180
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-2-phenylacetic acid
CID 104899136
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid (CID 104898888) is (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid is COC(=O)CNC(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is JUXLXTVVVLMKOR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O5/c1-19-9(15)7-13-12(18)14-10(11(16)17)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid?
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 266.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 104898888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).