cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C19H29NO3 — CID 120674802

IUPACcis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC12CC3CC(C)(C1)CC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)(C3)C2
InChIInChI=1S/C19H29NO3/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)20-14-4-3-13(5-14)15(21)22/h12-14H,3-11H2,1-2H3,(H,20,23)(H,21,22)/t12?,13-,14+,17?,18?,19?/m0/s1
InChIKeyOKECSPYPLJRJKV-FQELKSSKSA-N
MW319.45 g/mol
LogP3.35
Rot. Bonds3

About cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120674802) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120674802
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Namecis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC12CC3CC(C)(C1)CC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)(C3)C2
InChIInChI=1S/C19H29NO3/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)20-14-4-3-13(5-14)15(21)22/h12-14H,3-11H2,1-2H3,(H,20,23)(H,21,22)/t12?,13-,14+,17?,18?,19?/m0/s1
InChIKeyOKECSPYPLJRJKV-FQELKSSKSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120601324
cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120677052
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
(3R,5S)-N-[(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3,5-dimethyladamantane-1-carboxamide
CID 124856853
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030179
cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173484
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
cis-(1R,3S)-3-[(1-aminocyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322800
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120674802) is cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CC12CC3CC(C)(C1)CC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)(C3)C2.
What is the InChIKey of cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OKECSPYPLJRJKV-FQELKSSKSA-N. The full InChI is InChI=1S/C19H29NO3/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)20-14-4-3-13(5-14)15(21)22/h12-14H,3-11H2,1-2H3,(H,20,23)(H,21,22)/t12?,13-,14+,17?,18?,19?/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 319.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).