1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C12H21N3O4 — CID 63124592

IUPAC1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC(C)(C)C(N)=O)CC1
InChIInChI=1S/C12H21N3O4/c1-11(2,8(13)16)14-10(19)15-6-4-12(3,5-7-15)9(17)18/h4-7H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyYCIJBKZASGJACV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds3

About 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124592) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124592
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC(C)(C)C(N)=O)CC1
InChIInChI=1S/C12H21N3O4/c1-11(2,8(13)16)14-10(19)15-6-4-12(3,5-7-15)9(17)18/h4-7H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyYCIJBKZASGJACV-UHFFFAOYSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 81116080
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
CID 63162162
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123591
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid
CID 130987300

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63124592) is 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NC(C)(C)C(N)=O)CC1.
What is the InChIKey of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is YCIJBKZASGJACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-11(2,8(13)16)14-10(19)15-6-4-12(3,5-7-15)9(17)18/h4-7H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).