3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C10H18N2O3 — CID 64836170

IUPAC3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCCN
InChIInChI=1S/C10H18N2O3/c1-10(2)6(7(10)9(14)15)8(13)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKXARXNOICJPPME-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.19
Rot. Bonds5

About 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64836170) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64836170
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCCN
InChIInChI=1S/C10H18N2O3/c1-10(2)6(7(10)9(14)15)8(13)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKXARXNOICJPPME-UHFFFAOYSA-N
XLogP-0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698
trans-(1S,3S)-2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859644
cis-(1S,3R)-2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859643
3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836137
2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475681
2,2-dimethyl-3-[2-(4-methylcyclohexyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64836970
cis-(1R,3S)-2,2-dimethyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114093097
3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114174958
N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476636
2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102903647

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64836170) is 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NCCCN.
What is the InChIKey of 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is KXARXNOICJPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2)6(7(10)9(14)15)8(13)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).