benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate

C16H23N3O5 — CID 71375175

IUPACbenzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO
InChIInChI=1S/C16H23N3O5/c1-11(2)8-13(15(21)19-23)18-14(20)9-17-16(22)24-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyCZMVESRDLDYWMU-ZDUSSCGKSA-N
MW337.38 g/mol
LogP0.95
Rot. Bonds8

About benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 71375175) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID71375175
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Namebenzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO
InChIInChI=1S/C16H23N3O5/c1-11(2)8-13(15(21)19-23)18-14(20)9-17-16(22)24-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyCZMVESRDLDYWMU-ZDUSSCGKSA-N
XLogP0.95
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate (CID 71375175) is benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate is CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO.
What is the InChIKey of benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is CZMVESRDLDYWMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-11(2)8-13(15(21)19-23)18-14(20)9-17-16(22)24-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 71375175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).