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

C19H28N2O5 — CID 70116559

IUPACbenzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1OC
InChIInChI=1S/C19H28N2O5/c1-4-13(2)16(17(22)20-15-10-11-25-18(15)24-3)21-19(23)26-12-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3,(H,20,22)(H,21,23)/t13?,15-,16-,18?/m0/s1
InChIKeyCYSKFBXKZJGVAB-PWFYPYPJSA-N
MW364.44 g/mol
LogP2.21
Rot. Bonds8

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

benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 70116559) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID70116559
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namebenzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1OC
InChIInChI=1S/C19H28N2O5/c1-4-13(2)16(17(22)20-15-10-11-25-18(15)24-3)21-19(23)26-12-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3,(H,20,22)(H,21,23)/t13?,15-,16-,18?/m0/s1
InChIKeyCYSKFBXKZJGVAB-PWFYPYPJSA-N
XLogP2.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
benzyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22444784
[(2S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]oxolan-2-yl] acetate
CID 54054053
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid
CID 178191249
benzyl N-[3-methyl-1-[12-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]dodecylamino]-1-oxopentan-2-yl]carbamate;benzyl N-[3-methyl-1-[7-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptylamino]-1-oxopentan-2-yl]carbamate
CID 122444345
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
methyl (2S)-2-[[(2R,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 92840647
benzyl N-[(2S,3S)-1-[3-(2-methoxyethoxy)propylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 55937546
benzyl N-[(2S,3R)-1-(4-acetamidoanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 2412972
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564
benzyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
CID 22444833
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoyl]amino]oxolane-2-carboxylic acid
CID 178195532

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (CID 70116559) is benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1OC.
What is the InChIKey of benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is CYSKFBXKZJGVAB-PWFYPYPJSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-4-13(2)16(17(22)20-15-10-11-25-18(15)24-3)21-19(23)26-12-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3,(H,20,22)(H,21,23)/t13?,15-,16-,18?/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 364.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 70116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).