2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

C16H30N2O3 — CID 107473950

IUPAC2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-16(2,3)10-12(14(19)20)11-17-15(21)18-13-8-6-4-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyMVACYWNIRIXHNN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.15
Rot. Bonds5

About 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473950) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
PubChem CID107473950
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-16(2,3)10-12(14(19)20)11-17-15(21)18-13-8-6-4-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyMVACYWNIRIXHNN-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
CID 107474794
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764

Frequently Asked Questions

What is the IUPAC name of 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (CID 107473950) is 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)NC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is MVACYWNIRIXHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)10-12(14(19)20)11-17-15(21)18-13-8-6-4-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).