tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate

C19H28N2O3 — CID 97354698

IUPACtert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C19H28N2O3/c1-12(2)16(21-18(23)24-19(3,4)5)17(22)20-15-10-13-8-6-7-9-14(13)11-15/h6-9,12,15-16H,10-11H2,1-5H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyNRDSZXCULMKMIF-MRXNPFEDSA-N
MW332.44 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 97354698) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID97354698
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C19H28N2O3/c1-12(2)16(21-18(23)24-19(3,4)5)17(22)20-15-10-13-8-6-7-9-14(13)11-15/h6-9,12,15-16H,10-11H2,1-5H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyNRDSZXCULMKMIF-MRXNPFEDSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
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tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
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tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
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tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
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tert-butyl N-[(2S)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 97354698) is tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NRDSZXCULMKMIF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)16(21-18(23)24-19(3,4)5)17(22)20-15-10-13-8-6-7-9-14(13)11-15/h6-9,12,15-16H,10-11H2,1-5H3,(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 97354698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).