2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate

C13H17NO5 — CID 151400994

IUPAC2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
SMILESCC(O)COC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c1-10(15)8-18-12(16)7-14-13(17)19-9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,14,17)
InChIKeyOWMBPBKEVIRZPS-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.84
Rot. Bonds6

About 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate

2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 151400994) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
PubChem CID151400994
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
SMILESCC(O)COC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c1-10(15)8-18-12(16)7-14-13(17)19-9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,14,17)
InChIKeyOWMBPBKEVIRZPS-UHFFFAOYSA-N
XLogP0.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936
diethyl 2-[2-(phenylmethoxycarbonylamino)acetyl]oxypropanedioate
CID 3059726
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
2-hydroxy-3-oxo-4-(phenylmethoxycarbonylamino)butanoic acid
CID 139920935
methyl 2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]ethanethioyl]amino]ethanethioyl]amino]acetate
CID 102434309
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate (CID 151400994) is 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate is CC(O)COC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is OWMBPBKEVIRZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-10(15)8-18-12(16)7-14-13(17)19-9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,14,17).
What are the key properties of 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate?
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 267.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 151400994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).