2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid

C18H19NO6 — CID 142666338

IUPAC2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(NCC(O)(OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C18H19NO6/c20-16(21)18(23,25-12-15-9-5-2-6-10-15)13-19-17(22)24-11-14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,19,22)(H,20,21)
InChIKeyUNFALTZAJGETCI-UHFFFAOYSA-N
MW345.35 g/mol
LogP1.90
Rot. Bonds8

About 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid

2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 142666338) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID142666338
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(NCC(O)(OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C18H19NO6/c20-16(21)18(23,25-12-15-9-5-2-6-10-15)13-19-17(22)24-11-14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,19,22)(H,20,21)
InChIKeyUNFALTZAJGETCI-UHFFFAOYSA-N
XLogP1.90
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.90
H-Bond Donors ≤ 53
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

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid (CID 142666338) is 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid is O=C(NCC(O)(OCc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is UNFALTZAJGETCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c20-16(21)18(23,25-12-15-9-5-2-6-10-15)13-19-17(22)24-11-14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,19,22)(H,20,21).
What are the key properties of 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid?
2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 345.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 142666338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).