methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate

C10H19N3O4 — CID 62011390

IUPACmethyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
SMILESCCN(CC(=O)OC)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C10H19N3O4/c1-5-13(6-8(14)17-4)7(2)9(15)12-10(16)11-3/h7H,5-6H2,1-4H3,(H2,11,12,15,16)
InChIKeyQCOVEIPBVPBNNW-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.67
Rot. Bonds5

About methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate

methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate (PubChem CID 62011390) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
PubChem CID62011390
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
SMILESCCN(CC(=O)OC)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C10H19N3O4/c1-5-13(6-8(14)17-4)7(2)9(15)12-10(16)11-3/h7H,5-6H2,1-4H3,(H2,11,12,15,16)
InChIKeyQCOVEIPBVPBNNW-UHFFFAOYSA-N
XLogP-0.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 104554164
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79282980
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
CID 61448932
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate (CID 62011390) is methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate is CCN(CC(=O)OC)C(C)C(=O)NC(=O)NC.
What is the InChIKey of methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
The InChIKey is QCOVEIPBVPBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5-13(6-8(14)17-4)7(2)9(15)12-10(16)11-3/h7H,5-6H2,1-4H3,(H2,11,12,15,16).
What are the key properties of methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate has a molecular weight of 245.28 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate is sourced from PubChem (CID 62011390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).