(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide

C9H21N3O — CID 61249640

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
SMILESC[C@H](N)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C9H21N3O/c1-7(10)8(13)11-6-9(2,3)12(4)5/h7H,6,10H2,1-5H3,(H,11,13)/t7-/m0/s1
InChIKeyJNXYORLOVJETEY-ZETCQYMHSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds4

About (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide (PubChem CID 61249640) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
PubChem CID61249640
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
SMILESC[C@H](N)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C9H21N3O/c1-7(10)8(13)11-6-9(2,3)12(4)5/h7H,6,10H2,1-5H3,(H,11,13)/t7-/m0/s1
InChIKeyJNXYORLOVJETEY-ZETCQYMHSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496799
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-cyclopentyl-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 110353510
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide (CID 61249640) is (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide is C[C@H](N)C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
The InChIKey is JNXYORLOVJETEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(10)8(13)11-6-9(2,3)12(4)5/h7H,6,10H2,1-5H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide is sourced from PubChem (CID 61249640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).