cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 106322808

IUPACcis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
SMILESNCCCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c12-6-2-1-3-10(14)13-9-5-4-8(7-9)11(15)16/h8-9H,1-7,12H2,(H,13,14)(H,15,16)/t8-,9+/m1/s1
InChIKeyWDTZWQSIMOTGMT-BDAKNGLRSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds6

About cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106322808) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
PubChem CID106322808
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namecis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
SMILESNCCCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c12-6-2-1-3-10(14)13-9-5-4-8(7-9)11(15)16/h8-9H,1-7,12H2,(H,13,14)(H,15,16)/t8-,9+/m1/s1
InChIKeyWDTZWQSIMOTGMT-BDAKNGLRSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322969
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 58615977
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid (CID 106322808) is cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid is NCCCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WDTZWQSIMOTGMT-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-6-2-1-3-10(14)13-9-5-4-8(7-9)11(15)16/h8-9H,1-7,12H2,(H,13,14)(H,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).