(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid

C13H17N3O4 — CID 61203429

IUPAC(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
SMILESCCNC(=O)CNC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-2-14-10(17)8-15-13(20)16-11(12(18)19)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)/t11-/m1/s1
InChIKeyYNVOXCYRCOKOTJ-LLVKDONJSA-N
MW279.30 g/mol
LogP0.25
Rot. Bonds6

About (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid

(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid (PubChem CID 61203429) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
PubChem CID61203429
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
SMILESCCNC(=O)CNC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-2-14-10(17)8-15-13(20)16-11(12(18)19)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)/t11-/m1/s1
InChIKeyYNVOXCYRCOKOTJ-LLVKDONJSA-N
XLogP0.25
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61198379
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-(3-methylbut-2-enylcarbamoylamino)-2-phenylacetic acid
CID 106191180
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 62306268
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid (CID 61203429) is (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid is CCNC(=O)CNC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
The InChIKey is YNVOXCYRCOKOTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-14-10(17)8-15-13(20)16-11(12(18)19)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid?
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61203429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).