(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide

C14H17N3O — CID 22690765

IUPAC(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H17N3O/c1-9(2)12(15)14(18)17-11-7-3-5-10-6-4-8-16-13(10)11/h3-9,12H,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyYPANYSTUIVQMDK-LBPRGKRZSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide

(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide (PubChem CID 22690765) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
PubChem CID22690765
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H17N3O/c1-9(2)12(15)14(18)17-11-7-3-5-10-6-4-8-16-13(10)11/h3-9,12H,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyYPANYSTUIVQMDK-LBPRGKRZSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-quinolin-8-ylbutanamide
CID 76925148
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
(2S)-3-methyl-2-(phenylcarbamoylamino)-N-quinolin-8-ylbutanamide
CID 9107572
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide
CID 102340503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide (CID 22690765) is (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide is CC(C)[C@H](N)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide?
The InChIKey is YPANYSTUIVQMDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)12(15)14(18)17-11-7-3-5-10-6-4-8-16-13(10)11/h3-9,12H,15H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide?
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 22690765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).