cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid

C10H16N2O3 — CID 10130552

IUPACcis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@H](C(=O)O)[C@H](NC(=O)[C@H](C)N)C1
InChIInChI=1S/C10H16N2O3/c1-5-3-7(10(14)15)8(4-5)12-9(13)6(2)11/h6-8H,1,3-4,11H2,2H3,(H,12,13)(H,14,15)/t6-,7-,8+/m0/s1
InChIKeyIHGGEJUWBZYRTO-BIIVOSGPSA-N
MW212.25 g/mol
LogP-0.13
Rot. Bonds3

About cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 10130552) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID10130552
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namecis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@H](C(=O)O)[C@H](NC(=O)[C@H](C)N)C1
InChIInChI=1S/C10H16N2O3/c1-5-3-7(10(14)15)8(4-5)12-9(13)6(2)11/h6-8H,1,3-4,11H2,2H3,(H,12,13)(H,14,15)/t6-,7-,8+/m0/s1
InChIKeyIHGGEJUWBZYRTO-BIIVOSGPSA-N
XLogP-0.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid (CID 10130552) is cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid is C=C1C[C@H](C(=O)O)[C@H](NC(=O)[C@H](C)N)C1.
What is the InChIKey of cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is IHGGEJUWBZYRTO-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-3-7(10(14)15)8(4-5)12-9(13)6(2)11/h6-8H,1,3-4,11H2,2H3,(H,12,13)(H,14,15)/t6-,7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 10130552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).