benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

C19H27FN2O4 — CID 10618903

IUPACbenzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF
InChIInChI=1S/C19H27FN2O4/c1-4-15(17(23)11-20)21-18(24)16(10-13(2)3)22-19(25)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,21,24)(H,22,25)/t15?,16-/m0/s1
InChIKeyPBTYEWDVXMRWOG-LYKKTTPLSA-N
MW366.43 g/mol
LogP2.76
Rot. Bonds10

About benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10618903) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID10618903
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Namebenzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF
InChIInChI=1S/C19H27FN2O4/c1-4-15(17(23)11-20)21-18(24)16(10-13(2)3)22-19(25)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,21,24)(H,22,25)/t15?,16-/m0/s1
InChIKeyPBTYEWDVXMRWOG-LYKKTTPLSA-N
XLogP2.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 10618903) is benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF.
What is the InChIKey of benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is PBTYEWDVXMRWOG-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-4-15(17(23)11-20)21-18(24)16(10-13(2)3)22-19(25)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,21,24)(H,22,25)/t15?,16-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 366.43 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[(1-fluoro-2-oxopentan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10618903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).