(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide

C12H19N3O — CID 81410169

IUPAC(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-8(2)11(13)12(16)15-9(3)10-4-6-14-7-5-10/h4-9,11H,13H2,1-3H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyGMFDQLRYRVGYIA-MWLCHTKSSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide

(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide (PubChem CID 81410169) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
PubChem CID81410169
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-8(2)11(13)12(16)15-9(3)10-4-6-14-7-5-10/h4-9,11H,13H2,1-3H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyGMFDQLRYRVGYIA-MWLCHTKSSA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
CID 61155319
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide (CID 81410169) is (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide is CC(C)[C@@H](N)C(=O)N[C@H](C)c1ccncc1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is GMFDQLRYRVGYIA-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)11(13)12(16)15-9(3)10-4-6-14-7-5-10/h4-9,11H,13H2,1-3H3,(H,15,16)/t9-,11-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 81410169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).