2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid

C10H20N2O3 — CID 61184764

IUPAC2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCC(C)C
InChIInChI=1S/C10H20N2O3/c1-4-12(7-9(13)14)10(15)11-6-5-8(2)3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKQCGSOOEOSNJSU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.15
Rot. Bonds6

About 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid

2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid (PubChem CID 61184764) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
PubChem CID61184764
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCC(C)C
InChIInChI=1S/C10H20N2O3/c1-4-12(7-9(13)14)10(15)11-6-5-8(2)3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKQCGSOOEOSNJSU-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410918
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342
4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
CID 103103551
2-[4-methylpentylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79286173
2-[2-cyclohexyloxyethylcarbamoyl(ethyl)amino]acetic acid
CID 63834419
3-[ethyl(3-methylsulfanylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 113494161
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid (CID 61184764) is 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NCCC(C)C.
What is the InChIKey of 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid?
The InChIKey is KQCGSOOEOSNJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-12(7-9(13)14)10(15)11-6-5-8(2)3/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid?
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61184764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).