3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid

C10H19N3O5 — CID 114144627

IUPAC3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(CC(=O)NC)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-4-13(6-8(14)11-2)10(17)12-5-7(18-3)9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyWEPKSUXXBOOQII-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.14
Rot. Bonds7

About 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid

3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 114144627) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID114144627
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(CC(=O)NC)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-4-13(6-8(14)11-2)10(17)12-5-7(18-3)9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyWEPKSUXXBOOQII-UHFFFAOYSA-N
XLogP-1.14
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid with MolForge

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Related Compounds

3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109940
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
3-methoxy-4-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 103158984
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62480788
3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106110338
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid (CID 114144627) is 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid is CCN(CC(=O)NC)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is WEPKSUXXBOOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-4-13(6-8(14)11-2)10(17)12-5-7(18-3)9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).