benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate

C18H21N3O3 — CID 18108915

IUPACbenzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C18H21N3O3/c1-14(17(22)20-12-10-16-9-5-6-11-19-16)21-18(23)24-13-15-7-3-2-4-8-15/h2-9,11,14H,10,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyLBQCFMOIOXMSBB-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.06
Rot. Bonds7

About benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate

benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate (PubChem CID 18108915) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
PubChem CID18108915
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namebenzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C18H21N3O3/c1-14(17(22)20-12-10-16-9-5-6-11-19-16)21-18(23)24-13-15-7-3-2-4-8-15/h2-9,11,14H,10,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyLBQCFMOIOXMSBB-AWEZNQCLSA-N
XLogP2.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-oxo-1-[(2-pyridin-2-ylacetyl)amino]propan-2-yl]carbamate
CID 70392835
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
2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
hydroxy-oxo-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphanium
CID 57082591
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 14333276
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate
CID 46702033
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate (CID 18108915) is benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccn1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate?
The InChIKey is LBQCFMOIOXMSBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(17(22)20-12-10-16-9-5-6-11-19-16)21-18(23)24-13-15-7-3-2-4-8-15/h2-9,11,14H,10,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 18108915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).