(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide

C9H20N2O — CID 94523779

IUPAC(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)NCC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-7(10-5)8(12)11-6-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeySLRPVVYBUXERPH-ZETCQYMHSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds3

About (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide

(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide (PubChem CID 94523779) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
PubChem CID94523779
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)NCC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-7(10-5)8(12)11-6-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeySLRPVVYBUXERPH-ZETCQYMHSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 65106945
2-(methylamino)-N-(2,3,3-trimethylbutyl)propanamide
CID 83143044
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 2778097
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide
CID 126549375
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 62639289
(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
CID 94522697
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
N-(2,2-dimethylpropyl)-3-hydroxybutanamide
CID 87908757
2-(methylamino)-N-pent-4-ynylpropanamide
CID 106221794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide (CID 94523779) is (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)NCC(C)(C)C.
What is the InChIKey of (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide?
The InChIKey is SLRPVVYBUXERPH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(10-5)8(12)11-6-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide?
(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide is sourced from PubChem (CID 94523779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).