pyridin-3-yl (2S)-6-amino-2-formamidohexanoate

C12H17N3O3 — CID 18608205

IUPACpyridin-3-yl (2S)-6-amino-2-formamidohexanoate
SMILESNCCCC[C@H](NC=O)C(=O)Oc1cccnc1
InChIInChI=1S/C12H17N3O3/c13-6-2-1-5-11(15-9-16)12(17)18-10-4-3-7-14-8-10/h3-4,7-9,11H,1-2,5-6,13H2,(H,15,16)/t11-/m0/s1
InChIKeyFSQVBMJDQVOQSS-NSHDSACASA-N
MW251.29 g/mol
LogP0.23
Rot. Bonds8

About pyridin-3-yl (2S)-6-amino-2-formamidohexanoate

pyridin-3-yl (2S)-6-amino-2-formamidohexanoate (PubChem CID 18608205) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is pyridin-3-yl (2S)-6-amino-2-formamidohexanoate.

Molecular Properties

Compound Namepyridin-3-yl (2S)-6-amino-2-formamidohexanoate
PubChem CID18608205
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namepyridin-3-yl (2S)-6-amino-2-formamidohexanoate
SMILESNCCCC[C@H](NC=O)C(=O)Oc1cccnc1
InChIInChI=1S/C12H17N3O3/c13-6-2-1-5-11(15-9-16)12(17)18-10-4-3-7-14-8-10/h3-4,7-9,11H,1-2,5-6,13H2,(H,15,16)/t11-/m0/s1
InChIKeyFSQVBMJDQVOQSS-NSHDSACASA-N
XLogP0.23
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
(2S)-6-amino-2-[(3-pyridin-3-ylphenyl)methylamino]hexanamide
CID 91754956
ethyl 8-amino-5-pyridin-3-yloxyoctanoate
CID 14986710
phenyl (2S)-2-formamido-3-methoxypropanoate
CID 101011313
(2S)-6-amino-2-(phenoxyamino)hexanoic acid
CID 20593385
pyridin-3-yl 2-(4-chlorophenyl)-3-methylbutanoate
CID 174421603
6-pyridin-3-yloxyhexan-1-amine;hydrochloride
CID 131726699
N-[7-amino-1-(2,6-difluoro-3-methylphenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide
CID 158713062
N-[7-amino-1-[(2Z,4E)-2,4-difluorohexa-2,4-dien-3-yl]oxy-2-oxoheptan-3-yl]pyridine-3-carboxamide
CID 142307575
butane;pyridin-3-yl carbamate
CID 69137647
pyridin-3-yl 4,5-bis(acetyloxymethyl)-2-methyldodecanoate
CID 3014184
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl (2S)-6-amino-2-formamidohexanoate?
The IUPAC name of pyridin-3-yl (2S)-6-amino-2-formamidohexanoate (CID 18608205) is pyridin-3-yl (2S)-6-amino-2-formamidohexanoate.
What is the SMILES notation for pyridin-3-yl (2S)-6-amino-2-formamidohexanoate?
The canonical SMILES for pyridin-3-yl (2S)-6-amino-2-formamidohexanoate is NCCCC[C@H](NC=O)C(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl (2S)-6-amino-2-formamidohexanoate?
The InChIKey is FSQVBMJDQVOQSS-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O3/c13-6-2-1-5-11(15-9-16)12(17)18-10-4-3-7-14-8-10/h3-4,7-9,11H,1-2,5-6,13H2,(H,15,16)/t11-/m0/s1.
What are the key properties of pyridin-3-yl (2S)-6-amino-2-formamidohexanoate?
pyridin-3-yl (2S)-6-amino-2-formamidohexanoate has a molecular weight of 251.29 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl (2S)-6-amino-2-formamidohexanoate is sourced from PubChem (CID 18608205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).