(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide

C13H21N3O2 — CID 61379065

IUPAC(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
SMILESCC(C)Oc1ncccc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)11(14)12(17)16-10-6-5-7-15-13(10)18-9(3)4/h5-9,11H,14H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyNNCDKQJVWOMBGI-NSHDSACASA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide

(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide (PubChem CID 61379065) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
PubChem CID61379065
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
SMILESCC(C)Oc1ncccc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)11(14)12(17)16-10-6-5-7-15-13(10)18-9(3)4/h5-9,11H,14H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyNNCDKQJVWOMBGI-NSHDSACASA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
2,3-difluoro-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 62661805
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 79479427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide (CID 61379065) is (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide is CC(C)Oc1ncccc1NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide?
The InChIKey is NNCDKQJVWOMBGI-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)11(14)12(17)16-10-6-5-7-15-13(10)18-9(3)4/h5-9,11H,14H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide?
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide is sourced from PubChem (CID 61379065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).