N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide

C9H20N2O — CID 104873144

IUPACN-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N[C@H](C)CN
InChIInChI=1S/C9H20N2O/c1-6(2)8(4)9(12)11-7(3)5-10/h6-8H,5,10H2,1-4H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyKFSWEHDNQWLJDM-GVHYBUMESA-N
MW172.27 g/mol
LogP0.74
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide

N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide (PubChem CID 104873144) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
PubChem CID104873144
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N[C@H](C)CN
InChIInChI=1S/C9H20N2O/c1-6(2)8(4)9(12)11-7(3)5-10/h6-8H,5,10H2,1-4H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyKFSWEHDNQWLJDM-GVHYBUMESA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 120509012
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503
N-[(2R)-1-aminopropan-2-yl]-2-fluoro-2-methylpropanamide
CID 130562063

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide (CID 104873144) is N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)N[C@H](C)CN.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide?
The InChIKey is KFSWEHDNQWLJDM-GVHYBUMESA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)8(4)9(12)11-7(3)5-10/h6-8H,5,10H2,1-4H3,(H,11,12)/t7-,8?/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide?
N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide is sourced from PubChem (CID 104873144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).