(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide

C12H15N5O3 — CID 59162850

IUPAC(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide
SMILES[N-]=[N+]=NC1CN[C@H](C(=O)NOCc2ccccc2)C1O
InChIInChI=1S/C12H15N5O3/c13-17-15-9-6-14-10(11(9)18)12(19)16-20-7-8-4-2-1-3-5-8/h1-5,9-11,14,18H,6-7H2,(H,16,19)/t9?,10-,11?/m0/s1
InChIKeyYDENVZAJGWBJGE-YVNMAJEFSA-N
MW277.28 g/mol
LogP0.25
Rot. Bonds5

About (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide

(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 59162850) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID59162850
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide
SMILES[N-]=[N+]=NC1CN[C@H](C(=O)NOCc2ccccc2)C1O
InChIInChI=1S/C12H15N5O3/c13-17-15-9-6-14-10(11(9)18)12(19)16-20-7-8-4-2-1-3-5-8/h1-5,9-11,14,18H,6-7H2,(H,16,19)/t9?,10-,11?/m0/s1
InChIKeyYDENVZAJGWBJGE-YVNMAJEFSA-N
XLogP0.25
TPSA119.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azidopiperidin-4-ol;benzyl formate
CID 161036210
benzyl (3R,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 15965761
benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
CID 174789732
(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11044233
benzyl N-(3-azido-4-hydroxycyclohexyl)carbamate
CID 171775824
benzyl (4S,5R)-4-azido-5-hydroxyazepane-1-carboxylate
CID 124635222
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
CID 101199184
benzyl 3-azido-4-hydroxypiperidine-1-carboxylate
CID 59455704
benzyl (3S,4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 121288216
benzyl (4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 134546108
1-O-benzyl 2-O-methyl (2S,3R)-3-azidopyrrolidine-1,2-dicarboxylate
CID 89131859

Frequently Asked Questions

What is the IUPAC name of (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide (CID 59162850) is (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide is [N-]=[N+]=NC1CN[C@H](C(=O)NOCc2ccccc2)C1O.
What is the InChIKey of (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is YDENVZAJGWBJGE-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H15N5O3/c13-17-15-9-6-14-10(11(9)18)12(19)16-20-7-8-4-2-1-3-5-8/h1-5,9-11,14,18H,6-7H2,(H,16,19)/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide?
(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 59162850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).