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

C11H21N3O5 — CID 106109940

IUPAC3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCNC(=O)CN(CC)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-12-9(15)7-14(5-2)11(18)13-6-8(19-3)10(16)17/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyXNDINQFTRRWAQE-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.75
Rot. Bonds8

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

3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109940) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109940
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCNC(=O)CN(CC)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-12-9(15)7-14(5-2)11(18)13-6-8(19-3)10(16)17/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyXNDINQFTRRWAQE-UHFFFAOYSA-N
XLogP-0.75
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65220926
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106110338
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid (CID 106109940) is 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid is CCNC(=O)CN(CC)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is XNDINQFTRRWAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-4-12-9(15)7-14(5-2)11(18)13-6-8(19-3)10(16)17/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid?
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).