2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid

C15H28N2O3 — CID 79803979

IUPAC2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-15(5-2,13(18)19)16-14(20)17(3)12-10-8-6-7-9-11-12/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOLGNWLRBWCYBOG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid

2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid (PubChem CID 79803979) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
PubChem CID79803979
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-15(5-2,13(18)19)16-14(20)17(3)12-10-8-6-7-9-11-12/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOLGNWLRBWCYBOG-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266389
2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 79800820
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79804069
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea
CID 82508745
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid (CID 79803979) is 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)N(C)C1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
The InChIKey is OLGNWLRBWCYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-15(5-2,13(18)19)16-14(20)17(3)12-10-8-6-7-9-11-12/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).