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

C9H15NO3 — CID 67112454

IUPACcis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1
InChIKeyMBVSUQVIOMFOBI-RQJHMYQMSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds3

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

cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 67112454) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid
PubChem CID67112454
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namecis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1
InChIKeyMBVSUQVIOMFOBI-RQJHMYQMSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,4R)-3-carbamimidamido-4-(acetamidomethyl)cyclopentane-1-carboxylic acid
CID 490515
(1R,3S)-3-(((tert-butoxy)carbonyl)amino)cyclopentane-1-carboxylic acid
CID 1512526
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
(1S,3S)-3-((tert-Butoxycarbonyl)amino)cyclopentane-1-carboxylic acid
CID 1512528
(1S,3R)-3-(((tert-butoxy)carbonyl)amino)cyclopentane-1-carboxylic acid
CID 1512529
3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
CID 5224745
(1R,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-amino-cyclopentanecarboxylic acid
CID 15954395
3-(1-Acetamido-2-ethyl-butyl)-4-amino-cyclopentanecarboxylic acid
CID 15954396
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
(1S,3S,4S)-3-(1-acetamido-2-ethyl-butyl)-4-amino-cyclopentanecarboxylic acid
CID 15954386
3-[(1-Cyanocyclopentanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 75517058

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid (CID 67112454) is cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid is CCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MBVSUQVIOMFOBI-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(propanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 67112454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).