methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate

C13H25N3O4 — CID 62026422

IUPACmethyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C13H25N3O4/c1-5-16(7-6-12(18)20-4)9-11(17)15-13(19)14-8-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15,17,19)
InChIKeyUAXJVDGMWWOIAE-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.35
Rot. Bonds8

About methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate

methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate (PubChem CID 62026422) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate
PubChem CID62026422
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Namemethyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C13H25N3O4/c1-5-16(7-6-12(18)20-4)9-11(17)15-13(19)14-8-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15,17,19)
InChIKeyUAXJVDGMWWOIAE-UHFFFAOYSA-N
XLogP0.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
methyl 3-[[2-(butylamino)-2-oxoethyl]-ethylamino]propanoate
CID 62026967
methyl 3-[2-[3-[2-[bis[3-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 11788243
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262438
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate (CID 62026422) is methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate is CCN(CCC(=O)OC)CC(=O)NC(=O)NCC(C)C.
What is the InChIKey of methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is UAXJVDGMWWOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-5-16(7-6-12(18)20-4)9-11(17)15-13(19)14-8-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15,17,19).
What are the key properties of methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate?
methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 287.36 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 62026422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).