2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid

C12H22N2O4 — CID 79804069

IUPAC2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(CCO)C1CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-12(4-2,10(16)17)13-11(18)14(7-8-15)9-5-6-9/h9,15H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHDQPYVZNDBNVFZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds7

About 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid

2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid (PubChem CID 79804069) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid
PubChem CID79804069
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(CCO)C1CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-12(4-2,10(16)17)13-11(18)14(7-8-15)9-5-6-9/h9,15H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHDQPYVZNDBNVFZ-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801677
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 79803922
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394
1-cyclopropyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111508211

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid (CID 79804069) is 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)N(CCO)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid?
The InChIKey is HDQPYVZNDBNVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-12(4-2,10(16)17)13-11(18)14(7-8-15)9-5-6-9/h9,15H,3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid?
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).