cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 106322988

IUPACcis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7-,8+,9-/m1/s1
InChIKeySPPWXICOKZRCBD-HRDYMLBCSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds5

About cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106322988) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106322988
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namecis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7-,8+,9-/m1/s1
InChIKeySPPWXICOKZRCBD-HRDYMLBCSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid (CID 106322988) is cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid is CCC[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is SPPWXICOKZRCBD-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7-,8+,9-/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).