2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid

C14H21N3O4 — CID 43445772

IUPAC2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
SMILESCOc1cccc(C(CNC(=O)NCC(=O)O)N(C)C)c1
InChIInChI=1S/C14H21N3O4/c1-17(2)12(8-15-14(20)16-9-13(18)19)10-5-4-6-11(7-10)21-3/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyUBMFIZWODKTSND-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.68
Rot. Bonds7

About 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid

2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid (PubChem CID 43445772) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
PubChem CID43445772
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
SMILESCOc1cccc(C(CNC(=O)NCC(=O)O)N(C)C)c1
InChIInChI=1S/C14H21N3O4/c1-17(2)12(8-15-14(20)16-9-13(18)19)10-5-4-6-11(7-10)21-3/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyUBMFIZWODKTSND-UHFFFAOYSA-N
XLogP0.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic 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

1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51291088
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid (CID 43445772) is 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid is COc1cccc(C(CNC(=O)NCC(=O)O)N(C)C)c1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid?
The InChIKey is UBMFIZWODKTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-17(2)12(8-15-14(20)16-9-13(18)19)10-5-4-6-11(7-10)21-3/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid?
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid is sourced from PubChem (CID 43445772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).