N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide

C7H16N2O — CID 130636581

IUPACN-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C)CN
InChIInChI=1S/C7H16N2O/c1-5(2)7(10)9-6(3)4-8/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyAJSXMPINWJOIGI-LURJTMIESA-N
MW144.22 g/mol
LogP0.11
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide

N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide (PubChem CID 130636581) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
PubChem CID130636581
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C)CN
InChIInChI=1S/C7H16N2O/c1-5(2)7(10)9-6(3)4-8/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyAJSXMPINWJOIGI-LURJTMIESA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
CID 104873144
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
CID 62093157
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
CID 117126539
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
(E)-2,3-bis[(2S)-2-(2-methylpropanoylamino)propyl]but-2-enedioic acid
CID 126483204

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide (CID 130636581) is N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide?
The InChIKey is AJSXMPINWJOIGI-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)7(10)9-6(3)4-8/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide?
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide has a molecular weight of 144.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 130636581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).