ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

C13H18N2O4 — CID 53344986

IUPACethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-2-19-13(18)15-11(9-16)12(17)14-8-10-6-4-3-5-7-10/h3-7,11,16H,2,8-9H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChIKeyNNGYSKPUDRSIGE-LLVKDONJSA-N
MW266.30 g/mol
LogP0.41
Rot. Bonds6

About ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 53344986) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID53344986
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-2-19-13(18)15-11(9-16)12(17)14-8-10-6-4-3-5-7-10/h3-7,11,16H,2,8-9H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChIKeyNNGYSKPUDRSIGE-LLVKDONJSA-N
XLogP0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 658436
benzyl 2-(ethoxycarbonylamino)-3-hydroxypropanoate;hydrate
CID 174458411
benzene;ethyl N-benzylcarbamate
CID 67715166
tert-butyl N-[1-(benzylamino)-4-(ethoxycarbonylamino)-1-oxobutan-2-yl]carbamate
CID 142973690
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 24854322
benzyl N-[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 54125429
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
CID 102520251
benzyl N-[(2R)-3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 66870075

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 53344986) is ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is CCOC(=O)N[C@H](CO)C(=O)NCc1ccccc1.
What is the InChIKey of ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is NNGYSKPUDRSIGE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-19-13(18)15-11(9-16)12(17)14-8-10-6-4-3-5-7-10/h3-7,11,16H,2,8-9H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1.
What are the key properties of ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 53344986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).