2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid

C10H20N2O4 — CID 61447549

IUPAC2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CC)CCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-8(9(13)14)11-10(15)12(5-2)6-7-16-3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyYIWVOJKYRAFKPK-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.53
Rot. Bonds7

About 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid

2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 61447549) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
PubChem CID61447549
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CC)CCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-8(9(13)14)11-10(15)12(5-2)6-7-16-3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyYIWVOJKYRAFKPK-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
CID 102995572
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid (CID 61447549) is 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid is CCC(NC(=O)N(CC)CCOC)C(=O)O.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is YIWVOJKYRAFKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-8(9(13)14)11-10(15)12(5-2)6-7-16-3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61447549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).