3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid

C12H25N3O3 — CID 62670484

IUPAC3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CCN(C)C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-5-6-15(8-7-14(3)4)12(18)13-9-10(2)11(16)17/h10H,5-9H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyRSPBATWTZOSLQS-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.69
Rot. Bonds8

About 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid

3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62670484) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62670484
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CCN(C)C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-5-6-15(8-7-14(3)4)12(18)13-9-10(2)11(16)17/h10H,5-9H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyRSPBATWTZOSLQS-UHFFFAOYSA-N
XLogP0.69
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 115595036
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid (CID 62670484) is 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid is CCCN(CCN(C)C)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is RSPBATWTZOSLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-6-15(8-7-14(3)4)12(18)13-9-10(2)11(16)17/h10H,5-9H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid?
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62670484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).