benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate

C13H18N2O4 — CID 14333276

IUPACbenzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
SMILESCOCNC(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-10(12(16)14-9-18-2)15-13(17)19-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyFHOXXHGFKUKSEY-JTQLQIEISA-N
MW266.30 g/mol
LogP1.02
Rot. Bonds6

About benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 14333276) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID14333276
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namebenzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
SMILESCOCNC(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-10(12(16)14-9-18-2)15-13(17)19-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyFHOXXHGFKUKSEY-JTQLQIEISA-N
XLogP1.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-(methoxymethylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 67325886
benzyl N-[(2S)-1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
CID 125470315
benzyl N-[(2R)-1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
CID 125470316
methyl (2S)-2-[[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanethioyl]amino]propanoate
CID 164673496
hydroxy-oxo-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphanium
CID 57082591
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate (CID 14333276) is benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate is COCNC(=O)[C@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is FHOXXHGFKUKSEY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(12(16)14-9-18-2)15-13(17)19-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 14333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).