[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate

C10H19N3O3S — CID 89403467

IUPAC[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
SMILESN[C@@H](CCCCNC(=O)C1CSCN1)OC=O
InChIInChI=1S/C10H19N3O3S/c11-9(16-7-14)3-1-2-4-12-10(15)8-5-17-6-13-8/h7-9,13H,1-6,11H2,(H,12,15)/t8?,9-/m1/s1
InChIKeyQOFZBYWCHMYERZ-YGPZHTELSA-N
MW261.35 g/mol
LogP-0.61
Rot. Bonds8

About [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate

[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate (PubChem CID 89403467) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate.

Molecular Properties

Compound Name[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
PubChem CID89403467
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
SMILESN[C@@H](CCCCNC(=O)C1CSCN1)OC=O
InChIInChI=1S/C10H19N3O3S/c11-9(16-7-14)3-1-2-4-12-10(15)8-5-17-6-13-8/h7-9,13H,1-6,11H2,(H,12,15)/t8?,9-/m1/s1
InChIKeyQOFZBYWCHMYERZ-YGPZHTELSA-N
XLogP-0.61
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
CID 132961566
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
3-[(5-amino-5-formyloxypentyl)amino]-3-oxopropanoic acid
CID 89403463
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
CID 176804186
2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
CID 11775674
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288940

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate?
The IUPAC name of [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate (CID 89403467) is [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate.
What is the SMILES notation for [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate?
The canonical SMILES for [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate is N[C@@H](CCCCNC(=O)C1CSCN1)OC=O.
What is the InChIKey of [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate?
The InChIKey is QOFZBYWCHMYERZ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H19N3O3S/c11-9(16-7-14)3-1-2-4-12-10(15)8-5-17-6-13-8/h7-9,13H,1-6,11H2,(H,12,15)/t8?,9-/m1/s1.
What are the key properties of [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate?
[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate has a molecular weight of 261.35 g/mol, XLogP of -0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate is sourced from PubChem (CID 89403467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).