(1-carboxycyclopropyl)methyl-ethylazanium

C7H14NO2+ — CID 140699869

IUPAC(1-carboxycyclopropyl)methyl-ethylazanium
SMILESCC[NH2+]CC1(C(=O)O)CC1
InChIInChI=1S/C7H13NO2/c1-2-8-5-7(3-4-7)6(9)10/h8H,2-5H2,1H3,(H,9,10)/p+1
InChIKeyCBLTZZNUHFPXHZ-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.57
Rot. Bonds4

About (1-carboxycyclopropyl)methyl-ethylazanium

(1-carboxycyclopropyl)methyl-ethylazanium (PubChem CID 140699869) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is (1-carboxycyclopropyl)methyl-ethylazanium.

Molecular Properties

Compound Name(1-carboxycyclopropyl)methyl-ethylazanium
PubChem CID140699869
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(1-carboxycyclopropyl)methyl-ethylazanium
SMILESCC[NH2+]CC1(C(=O)O)CC1
InChIInChI=1S/C7H13NO2/c1-2-8-5-7(3-4-7)6(9)10/h8H,2-5H2,1H3,(H,9,10)/p+1
InChIKeyCBLTZZNUHFPXHZ-UHFFFAOYSA-O
XLogP-0.57
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
1-(acetylsulfanylmethyl)cyclopropane-1-carboxylic acid
CID 131227829
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-carboxypropyl)cyclopropane-1-carboxylic acid
CID 59921337
1-(tert-butylsulfanylmethyl)cyclopropane-1-carboxylic acid
CID 84770865
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
CID 79429129
1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid
CID 163757949
4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044

Frequently Asked Questions

What is the IUPAC name of (1-carboxycyclopropyl)methyl-ethylazanium?
The IUPAC name of (1-carboxycyclopropyl)methyl-ethylazanium (CID 140699869) is (1-carboxycyclopropyl)methyl-ethylazanium.
What is the SMILES notation for (1-carboxycyclopropyl)methyl-ethylazanium?
The canonical SMILES for (1-carboxycyclopropyl)methyl-ethylazanium is CC[NH2+]CC1(C(=O)O)CC1.
What is the InChIKey of (1-carboxycyclopropyl)methyl-ethylazanium?
The InChIKey is CBLTZZNUHFPXHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-2-8-5-7(3-4-7)6(9)10/h8H,2-5H2,1H3,(H,9,10)/p+1.
What are the key properties of (1-carboxycyclopropyl)methyl-ethylazanium?
(1-carboxycyclopropyl)methyl-ethylazanium has a molecular weight of 144.19 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxycyclopropyl)methyl-ethylazanium is sourced from PubChem (CID 140699869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).