[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid

C11H15NO6 — CID 165430264

IUPAC[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
SMILESCOc1ccccc1OC[C@H](O)C(O)NC(=O)O
InChIInChI=1S/C11H15NO6/c1-17-8-4-2-3-5-9(8)18-6-7(13)10(14)12-11(15)16/h2-5,7,10,12-14H,6H2,1H3,(H,15,16)/t7-,10?/m0/s1
InChIKeyRZBRKXAYUNUGIY-BYDSUWOYSA-N
MW257.24 g/mol
LogP0.02
Rot. Bonds6

About [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid

[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid (PubChem CID 165430264) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
PubChem CID165430264
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
SMILESCOc1ccccc1OC[C@H](O)C(O)NC(=O)O
InChIInChI=1S/C11H15NO6/c1-17-8-4-2-3-5-9(8)18-6-7(13)10(14)12-11(15)16/h2-5,7,10,12-14H,6H2,1H3,(H,15,16)/t7-,10?/m0/s1
InChIKeyRZBRKXAYUNUGIY-BYDSUWOYSA-N
XLogP0.02
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate
CID 19108663
methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
CID 70043339
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide
CID 57106530
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid?
The IUPAC name of [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid (CID 165430264) is [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid.
What is the SMILES notation for [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid?
The canonical SMILES for [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid is COc1ccccc1OC[C@H](O)C(O)NC(=O)O.
What is the InChIKey of [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid?
The InChIKey is RZBRKXAYUNUGIY-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-17-8-4-2-3-5-9(8)18-6-7(13)10(14)12-11(15)16/h2-5,7,10,12-14H,6H2,1H3,(H,15,16)/t7-,10?/m0/s1.
What are the key properties of [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid?
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid has a molecular weight of 257.24 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid is sourced from PubChem (CID 165430264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).