cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114092285

IUPACcis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCCN(C)C2CC2)[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-7-11(12(8-9)14(18)19)13(17)15-5-6-16(2)10-3-4-10/h9-12H,3-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,11-,12+/m0/s1
InChIKeyBOLLCILUALCZHH-CLGJWYQZSA-N
MW268.36 g/mol
LogP0.94
Rot. Bonds6

About cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114092285) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114092285
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCCN(C)C2CC2)[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-7-11(12(8-9)14(18)19)13(17)15-5-6-16(2)10-3-4-10/h9-12H,3-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,11-,12+/m0/s1
InChIKeyBOLLCILUALCZHH-CLGJWYQZSA-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-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 64824842
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390553
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390885
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
CID 62978700

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114092285) is cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NCCN(C)C2CC2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is BOLLCILUALCZHH-CLGJWYQZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-7-11(12(8-9)14(18)19)13(17)15-5-6-16(2)10-3-4-10/h9-12H,3-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-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,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).