(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid

C14H25N3O4 — CID 103927837

IUPAC(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-14(2,3)11(12(19)20)16-13(21)17-6-4-9(5-7-17)8-10(15)18/h9,11H,4-8H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyBOMWWRJFJXQWBK-NSHDSACASA-N
MW299.37 g/mol
LogP0.78
Rot. Bonds4

About (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103927837) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103927837
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-14(2,3)11(12(19)20)16-13(21)17-6-4-9(5-7-17)8-10(15)18/h9,11H,4-8H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyBOMWWRJFJXQWBK-NSHDSACASA-N
XLogP0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927826
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 62669034
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 62931543
(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 114007350

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (CID 103927837) is (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is BOMWWRJFJXQWBK-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)11(12(19)20)16-13(21)17-6-4-9(5-7-17)8-10(15)18/h9,11H,4-8H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).