3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid

C14H21N3O3 — CID 61188146

IUPAC3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
SMILESCN(C)CCNC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-17(2)9-8-15-14(20)16-12(10-13(18)19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyPKPWYRFQJNCWMY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.06
Rot. Bonds7

About 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid

3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid (PubChem CID 61188146) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
PubChem CID61188146
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
SMILESCN(C)CCNC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-17(2)9-8-15-14(20)16-12(10-13(18)19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyPKPWYRFQJNCWMY-UHFFFAOYSA-N
XLogP1.06
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
3-(3-methylsulfanylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 63960087
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110903342
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
CID 28785757
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
3-phenyl-3-(2-prop-2-enylsulfanylethylcarbamoylamino)propanoic acid
CID 106430587
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
3-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61202418
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid (CID 61188146) is 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid is CN(C)CCNC(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid?
The InChIKey is PKPWYRFQJNCWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)9-8-15-14(20)16-12(10-13(18)19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid?
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 61188146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).