N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate

C11H14NO6- — CID 19108663

IUPACN-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate
SMILESCOc1ccccc1OCC(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)/p-1
InChIKeyRZBRKXAYUNUGIY-UHFFFAOYSA-M
MW256.23 g/mol
LogP-1.31
Rot. Bonds6

About N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate

N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate (PubChem CID 19108663) has the molecular formula C11H14NO6- and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate.

Molecular Properties

Compound NameN-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate
PubChem CID19108663
Molecular FormulaC11H14NO6-
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate
SMILESCOc1ccccc1OCC(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)/p-1
InChIKeyRZBRKXAYUNUGIY-UHFFFAOYSA-M
XLogP-1.31
TPSA111.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
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
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
1-(2-methoxyphenoxy)but-3-en-2-ol
CID 86137299

Frequently Asked Questions

What is the IUPAC name of N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate?
The IUPAC name of N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate (CID 19108663) is N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate.
What is the SMILES notation for N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate?
The canonical SMILES for N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate is COc1ccccc1OCC(O)C(O)NC(=O)[O-].
What is the InChIKey of N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate?
The InChIKey is RZBRKXAYUNUGIY-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate?
N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate has a molecular weight of 256.23 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate is sourced from PubChem (CID 19108663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).