(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide

C14H19N3O — CID 110837856

IUPAC(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc2c(ccn2C)c1
InChIInChI=1S/C14H19N3O/c1-9(2)13(15)14(18)16-11-4-5-12-10(8-11)6-7-17(12)3/h4-9,13H,15H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyTXXNMSSARLHARI-ZDUSSCGKSA-N
MW245.33 g/mol
LogP2.10
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide

(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide (PubChem CID 110837856) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
PubChem CID110837856
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc2c(ccn2C)c1
InChIInChI=1S/C14H19N3O/c1-9(2)13(15)14(18)16-11-4-5-12-10(8-11)6-7-17(12)3/h4-9,13H,15H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyTXXNMSSARLHARI-ZDUSSCGKSA-N
XLogP2.10
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110838398
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CID 671224
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
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3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357
N-(1-methylindol-5-yl)-2-(1-methylpyrrol-2-yl)acetamide
CID 138964414
(2S)-2-amino-N-[1-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]indol-5-yl]-3-methylbutanamide
CID 143092998
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
1-[(1-methylindol-5-yl)amino]propan-2-ol
CID 82539777
(2S)-2-amino-3-methyl-N-[4-(triazol-2-yl)phenyl]butanamide
CID 61154782
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea
CID 127255329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide (CID 110837856) is (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide is CC(C)[C@H](N)C(=O)Nc1ccc2c(ccn2C)c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
The InChIKey is TXXNMSSARLHARI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)13(15)14(18)16-11-4-5-12-10(8-11)6-7-17(12)3/h4-9,13H,15H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide has a molecular weight of 245.33 g/mol, XLogP of 2.10, 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-(1-methylindol-5-yl)butanamide is sourced from PubChem (CID 110837856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).