benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate

C19H27NO4 — CID 10958554

IUPACbenzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate
SMILESCC(C)C[C@@H](NC(=O)OCc1ccccc1)[C@]1(C)OC(=O)C[C@@H]1C
InChIInChI=1S/C19H27NO4/c1-13(2)10-16(19(4)14(3)11-17(21)24-19)20-18(22)23-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,22)/t14-,16+,19+/m0/s1
InChIKeyMXUCCYLQIXPAHB-ZSZQSSIHSA-N
MW333.43 g/mol
LogP3.67
Rot. Bonds6

About benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate

benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate (PubChem CID 10958554) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate
PubChem CID10958554
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namebenzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate
SMILESCC(C)C[C@@H](NC(=O)OCc1ccccc1)[C@]1(C)OC(=O)C[C@@H]1C
InChIInChI=1S/C19H27NO4/c1-13(2)10-16(19(4)14(3)11-17(21)24-19)20-18(22)23-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,22)/t14-,16+,19+/m0/s1
InChIKeyMXUCCYLQIXPAHB-ZSZQSSIHSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
tert-butyl (2S)-2-[[(2R)-5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-methyl-butanoate
CID 71461222
tert-butyl (2S)-2-[[(2S)-5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-methyl-butanoate
CID 71455802
(2S)-5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid
CID 7269338
methyl (1S,3R)-3-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate
CID 66545226
Tert-butyl 5-(((benzyloxy)carbonyl)amino)pentanoate
CID 10638439
Boc-L-Lys(Z)-OMe
CID 11132998
(S)-tert-butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride
CID 13536460
benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 6918598
benzyl N-[(3S)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 9948941
(4-Methyl-5-oxo-tetrahydro-furan-3-YL)-carbamic acid benzyl ester
CID 10106100
Benzyl 4-(5-oxopyrrolidin-2-yl)butanoate
CID 44364452

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate (CID 10958554) is benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate is CC(C)C[C@@H](NC(=O)OCc1ccccc1)[C@]1(C)OC(=O)C[C@@H]1C.
What is the InChIKey of benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate?
The InChIKey is MXUCCYLQIXPAHB-ZSZQSSIHSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13(2)10-16(19(4)14(3)11-17(21)24-19)20-18(22)23-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,22)/t14-,16+,19+/m0/s1.
What are the key properties of benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate?
benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate has a molecular weight of 333.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate is sourced from PubChem (CID 10958554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).