cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid

C8H11NO4 — CID 67859628

IUPACcis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@H](NC(=O)O)[C@H](C(=O)O)C1
InChIInChI=1S/C8H11NO4/c1-4-2-5(7(10)11)6(3-4)9-8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyVNJFLYMSUIIWMW-RITPCOANSA-N
MW185.18 g/mol
LogP0.67
Rot. Bonds2

About cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 67859628) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID67859628
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namecis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@H](NC(=O)O)[C@H](C(=O)O)C1
InChIInChI=1S/C8H11NO4/c1-4-2-5(7(10)11)6(3-4)9-8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyVNJFLYMSUIIWMW-RITPCOANSA-N
XLogP0.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-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

Icofungipen
CID 216240
(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid
CID 5275656
(1R,2S)-2-tert-Butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid
CID 5275680
(1S,2S)-2-amino-4-methylidenecyclopentane-1-carboxylic acid
CID 5275657
(1R,2S)-2-amino-4-ethenylidenecyclopentane-1-carboxylic acid
CID 5275662
(1R,2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-methylene-cyclopentanecarboxylic acid
CID 5275679
(1R,2S)-2-(ethylamino)-4-methylene-cyclopentanecarboxylic acid
CID 5275681
cis-(1R,2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45262143
Cyclopentanecarboxylic acid, 2-amino-4-methylene-, (1R,2S)-(9CI)
CID 11701051
2-(Carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
CID 19754988
(1RS,2RS)-2-tert-Butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid
CID 53403819
(1RS,2RS)-2-tert-butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid methyl ester
CID 53403820

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid (CID 67859628) is cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid is C=C1C[C@H](NC(=O)O)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is VNJFLYMSUIIWMW-RITPCOANSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4-2-5(7(10)11)6(3-4)9-8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 67859628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).