cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

C19H22N2O3 — CID 74243543

IUPACcis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)C1
InChIInChI=1S/C19H22N2O3/c22-18(14-2-3-15(10-14)19(23)24)21(16-4-5-16)11-12-1-6-17-13(9-12)7-8-20-17/h1,6-9,14-16,20H,2-5,10-11H2,(H,23,24)/t14-,15+/m0/s1
InChIKeyHESNONZNAQMXDI-LSDHHAIUSA-N
MW326.40 g/mol
LogP3.16
Rot. Bonds5

About cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 74243543) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID74243543
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namecis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)C1
InChIInChI=1S/C19H22N2O3/c22-18(14-2-3-15(10-14)19(23)24)21(16-4-5-16)11-12-1-6-17-13(9-12)7-8-20-17/h1,6-9,14-16,20H,2-5,10-11H2,(H,23,24)/t14-,15+/m0/s1
InChIKeyHESNONZNAQMXDI-LSDHHAIUSA-N
XLogP3.16
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
CID 119069823
1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea
CID 122562050
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-pyrazol-1-ylbutanamide
CID 72883487
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide
CID 77094540
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70784252
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 74243543) is cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)C1.
What is the InChIKey of cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is HESNONZNAQMXDI-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(14-2-3-15(10-14)19(23)24)21(16-4-5-16)11-12-1-6-17-13(9-12)7-8-20-17/h1,6-9,14-16,20H,2-5,10-11H2,(H,23,24)/t14-,15+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 74243543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).