cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid

C17H25NO3 — CID 120677052

IUPACcis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H25NO3/c19-15(20)13-1-2-14(6-13)18-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h10-14H,1-9H2,(H,18,21)(H,19,20)/t10?,11?,12?,13-,14+,17?/m0/s1
InChIKeySMDKHXMMUPORAP-XOJFTNBJSA-N
MW291.39 g/mol
LogP2.57
Rot. Bonds3

About cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 120677052) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID120677052
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namecis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H25NO3/c19-15(20)13-1-2-14(6-13)18-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h10-14H,1-9H2,(H,18,21)(H,19,20)/t10?,11?,12?,13-,14+,17?/m0/s1
InChIKeySMDKHXMMUPORAP-XOJFTNBJSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802
cis-(1R,3S)-3-[(1-aminocyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322800
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
CID 94043121
N-[3-(adamantane-1-carbonylamino)-5-fluorocyclohexyl]adamantane-1-carboxamide
CID 171722471
N-[3-(adamantane-1-carbonylamino)-5-(1-adamantyl)cyclohexyl]adamantane-1-carboxamide
CID 171722197
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18106489
4-[4-(adamantane-1-carbonylamino)piperidin-1-yl]benzoic acid
CID 57475024
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 103513356
4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79192975

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid (CID 120677052) is cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SMDKHXMMUPORAP-XOJFTNBJSA-N. The full InChI is InChI=1S/C17H25NO3/c19-15(20)13-1-2-14(6-13)18-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h10-14H,1-9H2,(H,18,21)(H,19,20)/t10?,11?,12?,13-,14+,17?/m0/s1.
What are the key properties of cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.57, 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-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).