2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid

C13H23NO4 — CID 55091388

IUPAC2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCCCCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-18-9-8-11(13(16)17)14-12(15)10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySRSWHDWFVFKQDZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds6

About 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid

2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid (PubChem CID 55091388) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
PubChem CID55091388
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCCCCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-18-9-8-11(13(16)17)14-12(15)10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySRSWHDWFVFKQDZ-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703197
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
(2S)-2-(cyclohexanecarbonylamino)-4-methylsulfanylbutanoic acid
CID 40617599
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 107175397

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid (CID 55091388) is 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid is COCCC(NC(=O)C1CCCCCC1)C(=O)O.
What is the InChIKey of 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid?
The InChIKey is SRSWHDWFVFKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-18-9-8-11(13(16)17)14-12(15)10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid?
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 55091388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).