(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride

C13H23ClN2O3 — CID 45262204

IUPAC(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride
SMILESC=C1C[C@H](N)[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)C1.Cl
InChIInChI=1S/C13H22N2O3.ClH/c1-7(2)4-11(13(17)18)15-12(16)9-5-8(3)6-10(9)14;/h7,9-11H,3-6,14H2,1-2H3,(H,15,16)(H,17,18);1H/t9-,10+,11-;/m1./s1
InChIKeyDKYRKDDABBNSGA-QJQMQQLTSA-N
MW290.79 g/mol
LogP1.32
Rot. Bonds5

About (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride

(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride (PubChem CID 45262204) has the molecular formula C13H23ClN2O3 and a molecular weight of 290.79 g/mol. Its IUPAC name is (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride
PubChem CID45262204
Molecular FormulaC13H23ClN2O3
Molecular Weight290.79 g/mol
Exact Mass290.14
IUPAC Name(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride
SMILESC=C1C[C@H](N)[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)C1.Cl
InChIInChI=1S/C13H22N2O3.ClH/c1-7(2)4-11(13(17)18)15-12(16)9-5-8(3)6-10(9)14;/h7,9-11H,3-6,14H2,1-2H3,(H,15,16)(H,17,18);1H/t9-,10+,11-;/m1./s1
InChIKeyDKYRKDDABBNSGA-QJQMQQLTSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride with MolForge

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Related Compounds

(1R,2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-methylene-cyclopentanecarboxylic acid
CID 5275679
cis-(1R,2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45262143
(2S)-2-[[(1R,2S)-2-amino-4-methylene-cyclopentanecarbonyl]amino]-4-methyl-pentanoic acid
CID 5275678
(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 44358001
3-Methyl-2-(2-pyrrolidin-2-ylprop-2-enoylamino)butanoic acid
CID 69783023
(2R)-2-(3,5-dimethylhex-5-enoylamino)hexanoic acid
CID 89000831
(2S)-6-amino-2-[[(1R,2S)-2-aminocyclopentanecarbonyl]amino]hexanoic acid
CID 162455434
(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid
CID 177090632
cis-(1S,2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
CID 9795020
cis-(1R,2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
CID 9907253
cis-(1S,2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
CID 10130552
cis-(1R,2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylidenecyclopentane-1-carboxylic acid
CID 10219975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride?
The IUPAC name of (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride (CID 45262204) is (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride is C=C1C[C@H](N)[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)C1.Cl.
What is the InChIKey of (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride?
The InChIKey is DKYRKDDABBNSGA-QJQMQQLTSA-N. The full InChI is InChI=1S/C13H22N2O3.ClH/c1-7(2)4-11(13(17)18)15-12(16)9-5-8(3)6-10(9)14;/h7,9-11H,3-6,14H2,1-2H3,(H,15,16)(H,17,18);1H/t9-,10+,11-;/m1./s1.
What are the key properties of (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride?
(2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 45262204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).