methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate

C11H21N3O3S — CID 132961566

IUPACmethyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
SMILESCOC(=O)[C@@H](N)CCCCNC(=O)[C@@H]1CSCN1
InChIInChI=1S/C11H21N3O3S/c1-17-11(16)8(12)4-2-3-5-13-10(15)9-6-18-7-14-9/h8-9,14H,2-7,12H2,1H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyVQEIPHFTQUKYQO-IUCAKERBSA-N
MW275.37 g/mol
LogP-0.56
Rot. Bonds7

About methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate

methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate (PubChem CID 132961566) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
PubChem CID132961566
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Namemethyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
SMILESCOC(=O)[C@@H](N)CCCCNC(=O)[C@@H]1CSCN1
InChIInChI=1S/C11H21N3O3S/c1-17-11(16)8(12)4-2-3-5-13-10(15)9-6-18-7-14-9/h8-9,14H,2-7,12H2,1H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyVQEIPHFTQUKYQO-IUCAKERBSA-N
XLogP-0.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate with MolForge

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Related Compounds

[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
CID 89403467
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate
CID 67365579
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288940

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate?
The IUPAC name of methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate (CID 132961566) is methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate.
What is the SMILES notation for methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate?
The canonical SMILES for methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate is COC(=O)[C@@H](N)CCCCNC(=O)[C@@H]1CSCN1.
What is the InChIKey of methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate?
The InChIKey is VQEIPHFTQUKYQO-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-17-11(16)8(12)4-2-3-5-13-10(15)9-6-18-7-14-9/h8-9,14H,2-7,12H2,1H3,(H,13,15)/t8-,9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate?
methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate has a molecular weight of 275.37 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate is sourced from PubChem (CID 132961566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).