benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate

C16H23N3O3 — CID 23626669

IUPACbenzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
SMILESC[C@@]1(NC(=O)OCc2ccccc2)CCN(CCCN)C1=O
InChIInChI=1S/C16H23N3O3/c1-16(8-11-19(14(16)20)10-5-9-17)18-15(21)22-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,17H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyNMSKZVDAYNWPTD-MRXNPFEDSA-N
MW305.38 g/mol
LogP1.25
Rot. Bonds6

About benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate

benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 23626669) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
PubChem CID23626669
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
SMILESC[C@@]1(NC(=O)OCc2ccccc2)CCN(CCCN)C1=O
InChIInChI=1S/C16H23N3O3/c1-16(8-11-19(14(16)20)10-5-9-17)18-15(21)22-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,17H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyNMSKZVDAYNWPTD-MRXNPFEDSA-N
XLogP1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(6-amino-6-oxohexyl)-3-benzyl-2-oxopyrrolidin-3-yl]carbamate
CID 56615869
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate
CID 68551535
methyl (3S,8R)-8-methyl-8-(phenylmethoxycarbonylamino)-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 23626839
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
(3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 170433993
benzyl N-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamate;hydrochloride
CID 155387433
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
[1-amino-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-3-yl]-(butanoylamino)-oxophosphanium
CID 86599773
dibenzyl 1,3,6-trimethylazepane-3,6-dicarboxylate
CID 167239709
benzyl 1,4-dimethylpiperidine-4-carboxylate
CID 21050575

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate (CID 23626669) is benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate is C[C@@]1(NC(=O)OCc2ccccc2)CCN(CCCN)C1=O.
What is the InChIKey of benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is NMSKZVDAYNWPTD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(8-11-19(14(16)20)10-5-9-17)18-15(21)22-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,17H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate?
benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 23626669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).