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

C15H29N3O3 — CID 103927826

IUPAC(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(C)CC1CCN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)12(13(19)20)16-14(21)18-8-6-11(7-9-18)10-17(4)5/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyFXNVBDKAPBHSIT-LBPRGKRZSA-N
MW299.42 g/mol
LogP1.47
Rot. Bonds4

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

(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103927826) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103927826
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(C)CC1CCN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)12(13(19)20)16-14(21)18-8-6-11(7-9-18)10-17(4)5/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyFXNVBDKAPBHSIT-LBPRGKRZSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 54986104
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 62887648
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
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid
CID 116536942
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 62931543
(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104910106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (CID 103927826) is (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is CN(C)CC1CCN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is FXNVBDKAPBHSIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)12(13(19)20)16-14(21)18-8-6-11(7-9-18)10-17(4)5/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).