(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid

C13H19N3O3 — CID 104898882

IUPAC(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
SMILESCN(C)CCNC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-16(2)9-8-14-13(19)15-11(12(17)18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m0/s1
InChIKeyQCZFHYYWTVTAPG-NSHDSACASA-N
MW265.31 g/mol
LogP0.67
Rot. Bonds6

About (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid

(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid (PubChem CID 104898882) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
PubChem CID104898882
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
SMILESCN(C)CCNC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-16(2)9-8-14-13(19)15-11(12(17)18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m0/s1
InChIKeyQCZFHYYWTVTAPG-NSHDSACASA-N
XLogP0.67
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61198379
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
(2R)-2-(but-3-enylcarbamoylamino)-2-phenylacetic acid
CID 113465864
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
CID 103996411
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)-2-phenylacetic acid
CID 104866571

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid (CID 104898882) is (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid is CN(C)CCNC(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid?
The InChIKey is QCZFHYYWTVTAPG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)9-8-14-13(19)15-11(12(17)18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid?
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 104898882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).