methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate

C12H23N3O3 — CID 113402198

IUPACmethyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCC(C)CN)C1
InChIInChI=1S/C12H23N3O3/c1-9(7-13)3-4-11(16)15-6-5-10(8-15)14-12(17)18-2/h9-10H,3-8,13H2,1-2H3,(H,14,17)
InChIKeySXSQSOXJTYLNBQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.32
Rot. Bonds5

About methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate (PubChem CID 113402198) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
PubChem CID113402198
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namemethyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCC(C)CN)C1
InChIInChI=1S/C12H23N3O3/c1-9(7-13)3-4-11(16)15-6-5-10(8-15)14-12(17)18-2/h9-10H,3-8,13H2,1-2H3,(H,14,17)
InChIKeySXSQSOXJTYLNBQ-UHFFFAOYSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate
CID 104678633
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate (CID 113402198) is methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)CCC(C)CN)C1.
What is the InChIKey of methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is SXSQSOXJTYLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(7-13)3-4-11(16)15-6-5-10(8-15)14-12(17)18-2/h9-10H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113402198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).