2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid

C13H17N3O4 — CID 61198379

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
SMILESCN(C)C(=O)CNC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-16(2)10(17)8-14-13(20)15-11(12(18)19)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyKJSADRZVQGRWOH-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.20
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid

2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid (PubChem CID 61198379) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
PubChem CID61198379
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
SMILESCN(C)C(=O)CNC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-16(2)10(17)8-14-13(20)15-11(12(18)19)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyKJSADRZVQGRWOH-UHFFFAOYSA-N
XLogP0.20
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-(3-methylbut-2-enylcarbamoylamino)-2-phenylacetic acid
CID 106191180
(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
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid (CID 61198379) is 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid is CN(C)C(=O)CNC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
The InChIKey is KJSADRZVQGRWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(2)10(17)8-14-13(20)15-11(12(18)19)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61198379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).