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

C12H23N3O4 — CID 62668667

IUPAC3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-6-15(8-10(16)14(3)4)12(19)13-7-9(2)11(17)18/h9H,5-8H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyADYAUGQAWYFSLT-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.22
Rot. Bonds7

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

3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62668667) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62668667
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-6-15(8-10(16)14(3)4)12(19)13-7-9(2)11(17)18/h9H,5-8H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyADYAUGQAWYFSLT-UHFFFAOYSA-N
XLogP0.22
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.22
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-methylpropanoic acid
CID 62670484
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid (CID 62668667) is 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid is CCCN(CC(=O)N(C)C)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is ADYAUGQAWYFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-5-6-15(8-10(16)14(3)4)12(19)13-7-9(2)11(17)18/h9H,5-8H2,1-4H3,(H,13,19)(H,17,18).
What are the key properties of 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid?
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62668667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).