2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid

C10H19N3O4 — CID 61267137

IUPAC2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
SMILESCCCNC(=O)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-11-7(14)6-12-9(17)13-10(2,3)8(15)16/h4-6H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyDFVZLIGIKDKASL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.32
Rot. Bonds6

About 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid

2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid (PubChem CID 61267137) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
PubChem CID61267137
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
SMILESCCCNC(=O)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-11-7(14)6-12-9(17)13-10(2,3)8(15)16/h4-6H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyDFVZLIGIKDKASL-UHFFFAOYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
2-(tert-butylamino)-N-propylacetamide
CID 28586578
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61264989
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid (CID 61267137) is 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid is CCCNC(=O)CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The InChIKey is DFVZLIGIKDKASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-5-11-7(14)6-12-9(17)13-10(2,3)8(15)16/h4-6H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 61267137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).