2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid

C10H19N3O4 — CID 62669389

IUPAC2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
SMILESCCCNC(=O)CNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-4-11-8(14)6-13-10(17)12-5-7(2)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyFHJIISOGOGCQGL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.47
Rot. Bonds7

About 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid

2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid (PubChem CID 62669389) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
PubChem CID62669389
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
SMILESCCCNC(=O)CNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-4-11-8(14)6-13-10(17)12-5-7(2)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyFHJIISOGOGCQGL-UHFFFAOYSA-N
XLogP-0.47
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
(2S)-4-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]pentanoic acid
CID 61202686
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
3-[ethyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 55123161
3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 64597206
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
2-methyl-5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]pentanoic acid
CID 104686919
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid (CID 62669389) is 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid is CCCNC(=O)CNC(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The InChIKey is FHJIISOGOGCQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-4-11-8(14)6-13-10(17)12-5-7(2)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 62669389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).