2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid

C14H25NO4 — CID 81077074

IUPAC2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)C1CCCCCC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-19-10-6-9-12(14(17)18)15-13(16)11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyZIRRSEDDQMEHQY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds7

About 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid

2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid (PubChem CID 81077074) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
PubChem CID81077074
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)C1CCCCCC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-19-10-6-9-12(14(17)18)15-13(16)11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyZIRRSEDDQMEHQY-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-[(3-aminocyclohexanecarbonyl)amino]-5-methoxypentanoic acid
CID 81078641
5-methoxy-2-(thiolane-3-carbonylamino)pentanoic acid
CID 81077225
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid (CID 81077074) is 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid is COCCCC(NC(=O)C1CCCCCC1)C(=O)O.
What is the InChIKey of 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid?
The InChIKey is ZIRRSEDDQMEHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-19-10-6-9-12(14(17)18)15-13(16)11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid?
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81077074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).