(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one

C19H38N2O7 — CID 175653310

IUPAC(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one
SMILESCCCC[C@@H](N)C(=O)N1CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1
InChIInChI=1S/C19H38N2O7/c1-2-3-7-14(20)19(26)21-8-6-10-27-9-4-5-11-28-18(16(24)13-22)17(25)15(23)12-21/h14-18,22-25H,2-13,20H2,1H3/t14-,15-,16-,17-,18-/m1/s1
InChIKeyLMYQKCORCLUGBH-DUQPFJRNSA-N
MW406.52 g/mol
LogP-1.01
Rot. Bonds6

About (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one

(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one (PubChem CID 175653310) has the molecular formula C19H38N2O7 and a molecular weight of 406.52 g/mol. Its IUPAC name is (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one
PubChem CID175653310
Molecular FormulaC19H38N2O7
Molecular Weight406.52 g/mol
Exact Mass406.27
IUPAC Name(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one
SMILESCCCC[C@@H](N)C(=O)N1CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1
InChIInChI=1S/C19H38N2O7/c1-2-3-7-14(20)19(26)21-8-6-10-27-9-4-5-11-28-18(16(24)13-22)17(25)15(23)12-21/h14-18,22-25H,2-13,20H2,1H3/t14-,15-,16-,17-,18-/m1/s1
InChIKeyLMYQKCORCLUGBH-DUQPFJRNSA-N
XLogP-1.01
TPSA145.71 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 5-1.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one with MolForge

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Related Compounds

N-[(5S)-5-amino-6-[(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododec-6-yl]-6-oxohexyl]acetamide
CID 175653324
4-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]butan-1-one
CID 155997093
(2R)-2-amino-1-[(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododec-6-yl]-3-methylbutan-1-one
CID 155997252
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
N-[2-(azepan-1-yl)ethyl]-4-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]-4-oxobutanamide
CID 155998524
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
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CID 103831654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one?
The IUPAC name of (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one (CID 175653310) is (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one is CCCC[C@@H](N)C(=O)N1CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1.
What is the InChIKey of (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one?
The InChIKey is LMYQKCORCLUGBH-DUQPFJRNSA-N. The full InChI is InChI=1S/C19H38N2O7/c1-2-3-7-14(20)19(26)21-8-6-10-27-9-4-5-11-28-18(16(24)13-22)17(25)15(23)12-21/h14-18,22-25H,2-13,20H2,1H3/t14-,15-,16-,17-,18-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one?
(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one has a molecular weight of 406.52 g/mol, XLogP of -1.01, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one is sourced from PubChem (CID 175653310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).