(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid

C12H21N3O4 — CID 81118766

IUPAC(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(NC(N)=O)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-7(2)9(14-12(13)19)10(16)15-5-3-4-8(6-15)11(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,19)/t8-,9?/m1/s1
InChIKeyQZUICOZDCILMBV-VEDVMXKPSA-N
MW271.32 g/mol
LogP0.00
Rot. Bonds4

About (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid

(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid (PubChem CID 81118766) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
PubChem CID81118766
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(NC(N)=O)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-7(2)9(14-12(13)19)10(16)15-5-3-4-8(6-15)11(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,19)/t8-,9?/m1/s1
InChIKeyQZUICOZDCILMBV-VEDVMXKPSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(carbamoylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 55151360
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
(3S)-1-[3-methyl-2-(3-methylbutanoylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174275
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 119167769
(3R)-1-[2-(carbamoylamino)-4-methylpentanoyl]piperidine-3-carboxylic acid
CID 81119735
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
[(2S)-1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 9225446
[(2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 9225449
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
(3S)-1-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173519

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid (CID 81118766) is (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid is CC(C)C(NC(N)=O)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
The InChIKey is QZUICOZDCILMBV-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(2)9(14-12(13)19)10(16)15-5-3-4-8(6-15)11(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,19)/t8-,9?/m1/s1.
What are the key properties of (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).