1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid

C14H26N2O3 — CID 81087880

IUPAC1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid
SMILESCCC(CN)CC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-11(10-15)9-12(17)16-14(13(18)19)7-5-3-4-6-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyADGRHOBKIUIMBM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.66
Rot. Bonds6

About 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid

1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid (PubChem CID 81087880) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid
PubChem CID81087880
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid
SMILESCCC(CN)CC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-11(10-15)9-12(17)16-14(13(18)19)7-5-3-4-6-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyADGRHOBKIUIMBM-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
3-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]pentanamide
CID 114125108
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopropane-1-carboxylic acid
CID 115910068
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
3-(aminomethyl)pentanehydrazide
CID 81079841
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
CID 65292201

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid (CID 81087880) is 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid is CCC(CN)CC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is ADGRHOBKIUIMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-11(10-15)9-12(17)16-14(13(18)19)7-5-3-4-6-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid?
1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 81087880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).