2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid

C13H24N2O3 — CID 79803922

IUPAC2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC1CC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-13(6-2,11(16)17)14-12(18)15(4)8-10-7-9(10)3/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyNENWMUGPIURNSK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds6

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

2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid (PubChem CID 79803922) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
PubChem CID79803922
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC1CC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-13(6-2,11(16)17)14-12(18)15(4)8-10-7-9(10)3/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyNENWMUGPIURNSK-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63859529
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
3-hydroxy-3-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 66002435
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
(Z)-2,3-dimethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 55256557
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394
3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 63859003
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid (CID 79803922) is 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid is CCC(CC)(NC(=O)N(C)CC1CC1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
The InChIKey is NENWMUGPIURNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-13(6-2,11(16)17)14-12(18)15(4)8-10-7-9(10)3/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79803922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).