benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate

C18H21N3O3 — CID 24854322

IUPACbenzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
SMILESNC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O3/c19-11-16(17(22)20-12-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyQQPHKJXISPYGMY-INIZCTEOSA-N
MW327.38 g/mol
LogP1.56
Rot. Bonds7

About benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 24854322) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
PubChem CID24854322
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namebenzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
SMILESNC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O3/c19-11-16(17(22)20-12-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyQQPHKJXISPYGMY-INIZCTEOSA-N
XLogP1.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate (CID 24854322) is benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate is NC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is QQPHKJXISPYGMY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-11-16(17(22)20-12-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 24854322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).