[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate

C14H19NO4 — CID 10333076

IUPAC[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
SMILESCC[C@H](COC(C)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-13(10-18-11(2)16)15-14(17)19-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyHPSOQULEAPCMPI-CYBMUJFWSA-N
MW265.31 g/mol
LogP2.25
Rot. Bonds6

About [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate

[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate (PubChem CID 10333076) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
PubChem CID10333076
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
SMILESCC[C@H](COC(C)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-13(10-18-11(2)16)15-14(17)19-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyHPSOQULEAPCMPI-CYBMUJFWSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
benzyl N-(6-chloro-5-oxohexan-3-yl)carbamate
CID 104701895
benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate
CID 101334791
[(2R,3S,4R,5S)-2,3,4-triacetyloxy-5-(phenylmethoxycarbonylamino)heptyl] acetate
CID 129257693
benzyl N-[(1S)-1-cyanopropyl]carbamate
CID 156781711
(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate
CID 88793876
[(2S)-2-(phenylmethoxycarbonylamino)but-3-enyl] acetate
CID 11076288
benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
CID 89365445
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate?
The IUPAC name of [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate (CID 10333076) is [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate.
What is the SMILES notation for [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate?
The canonical SMILES for [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate is CC[C@H](COC(C)=O)NC(=O)OCc1ccccc1.
What is the InChIKey of [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate?
The InChIKey is HPSOQULEAPCMPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-13(10-18-11(2)16)15-14(17)19-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate?
[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate has a molecular weight of 265.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate is sourced from PubChem (CID 10333076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).