3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid

C12H25N3O4 — CID 62851164

IUPAC3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCCN(C)CCOC
InChIInChI=1S/C12H25N3O4/c1-4-15(7-5-11(16)17)12(18)13-6-8-14(2)9-10-19-3/h4-10H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyCEVNNUBAWYPLQB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.07
Rot. Bonds10

About 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid

3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid (PubChem CID 62851164) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
PubChem CID62851164
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCCN(C)CCOC
InChIInChI=1S/C12H25N3O4/c1-4-15(7-5-11(16)17)12(18)13-6-8-14(2)9-10-19-3/h4-10H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyCEVNNUBAWYPLQB-UHFFFAOYSA-N
XLogP0.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
CID 55127012
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
3-[ethyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]propanoic acid
CID 106038851
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569874
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid (CID 62851164) is 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)NCCN(C)CCOC.
What is the InChIKey of 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid?
The InChIKey is CEVNNUBAWYPLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-4-15(7-5-11(16)17)12(18)13-6-8-14(2)9-10-19-3/h4-10H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid?
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 62851164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).