cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H24N2O3 — CID 114132555

IUPACcis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(CNC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C)N(C)C1CC1
InChIInChI=1S/C14H24N2O3/c1-8(16(4)9-5-6-9)7-15-12(17)10-11(13(18)19)14(10,2)3/h8-11H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t8?,10-,11+/m1/s1
InChIKeyWUKPSVSLPQGQES-JROPRLTOSA-N
MW268.36 g/mol
LogP0.94
Rot. Bonds6

About cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 114132555) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID114132555
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(CNC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C)N(C)C1CC1
InChIInChI=1S/C14H24N2O3/c1-8(16(4)9-5-6-9)7-15-12(17)10-11(13(18)19)14(10,2)3/h8-11H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t8?,10-,11+/m1/s1
InChIKeyWUKPSVSLPQGQES-JROPRLTOSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102903647
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547
3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114145229
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
CID 114134011
2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]butanamide;dihydrochloride
CID 119875597
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide
CID 107093488

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 114132555) is cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC(CNC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C)N(C)C1CC1.
What is the InChIKey of cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is WUKPSVSLPQGQES-JROPRLTOSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-8(16(4)9-5-6-9)7-15-12(17)10-11(13(18)19)14(10,2)3/h8-11H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t8?,10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 114132555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).