3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid

C16H30N2O3 — CID 65266389

IUPAC3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)C1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,13(19)20)16(3,4)17-14(21)18(5)12-10-8-6-7-9-11-12/h12H,6-11H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyICQIXYPQGNDHFW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds4

About 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid

3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65266389) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65266389
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)C1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,13(19)20)16(3,4)17-14(21)18(5)12-10-8-6-7-9-11-12/h12H,6-11H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyICQIXYPQGNDHFW-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
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-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 65265276
1-cyclobutyl-1,3-dimethylurea
CID 66861755
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3-(2-cyclohexylethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265907
2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023

Frequently Asked Questions

What is the IUPAC name of 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (CID 65266389) is 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is CN(C(=O)NC(C)(C)C(C)(C)C(=O)O)C1CCCCCC1.
What is the InChIKey of 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is ICQIXYPQGNDHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,13(19)20)16(3,4)17-14(21)18(5)12-10-8-6-7-9-11-12/h12H,6-11H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).