5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid

C22H25N3O2 — CID 42623186

IUPAC5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid
SMILESCc1ncn([C@@H]2CC[C@@H](N[C@H](C)c3cccc4ccccc34)C2)c1C(=O)O
InChIInChI=1S/C22H25N3O2/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)24-17-10-11-18(12-17)25-13-23-15(2)21(25)22(26)27/h3-9,13-14,17-18,24H,10-12H2,1-2H3,(H,26,27)/t14-,17-,18-/m1/s1
InChIKeyOVFYVXZSUKPKBT-ZTFGCOKTSA-N
MW363.46 g/mol
LogP4.49
Rot. Bonds5

About 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid

5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid (PubChem CID 42623186) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid
PubChem CID42623186
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid
SMILESCc1ncn([C@@H]2CC[C@@H](N[C@H](C)c3cccc4ccccc34)C2)c1C(=O)O
InChIInChI=1S/C22H25N3O2/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)24-17-10-11-18(12-17)25-13-23-15(2)21(25)22(26)27/h3-9,13-14,17-18,24H,10-12H2,1-2H3,(H,26,27)/t14-,17-,18-/m1/s1
InChIKeyOVFYVXZSUKPKBT-ZTFGCOKTSA-N
XLogP4.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
3-[(1S,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]cyclohexa-1,5-diene-1-carboxylic acid
CID 70827421
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
2-hydroxy-3-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoic acid
CID 141396243
2-[3-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid;hydrochloride
CID 67296019
(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
CID 59617429
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid (CID 42623186) is 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid is Cc1ncn([C@@H]2CC[C@@H](N[C@H](C)c3cccc4ccccc34)C2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid?
The InChIKey is OVFYVXZSUKPKBT-ZTFGCOKTSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)24-17-10-11-18(12-17)25-13-23-15(2)21(25)22(26)27/h3-9,13-14,17-18,24H,10-12H2,1-2H3,(H,26,27)/t14-,17-,18-/m1/s1.
What are the key properties of 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid?
5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 42623186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).