methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate

C14H25N3O4 — CID 61009967

IUPACmethyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C14H25N3O4/c1-9(2)12(16-14(15)20)13(19)17-7-5-4-6-10(17)8-11(18)21-3/h9-10,12H,4-8H2,1-3H3,(H3,15,16,20)
InChIKeyNFUNGNAZWUPFPN-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.62
Rot. Bonds5

About methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate (PubChem CID 61009967) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
PubChem CID61009967
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C14H25N3O4/c1-9(2)12(16-14(15)20)13(19)17-7-5-4-6-10(17)8-11(18)21-3/h9-10,12H,4-8H2,1-3H3,(H3,15,16,20)
InChIKeyNFUNGNAZWUPFPN-UHFFFAOYSA-N
XLogP0.62
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
(2S)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-2-carboxylic acid
CID 66263553
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 102785839

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate (CID 61009967) is methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate?
The InChIKey is NFUNGNAZWUPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)12(16-14(15)20)13(19)17-7-5-4-6-10(17)8-11(18)21-3/h9-10,12H,4-8H2,1-3H3,(H3,15,16,20).
What are the key properties of methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate has a molecular weight of 299.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61009967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).