2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid

C9H18N2O3 — CID 79623755

IUPAC2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)CCNCC(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-9(2,8(13)14)6-11-5-4-7(12)10-3/h11H,4-6H2,1-3H3,(H,10,12)(H,13,14)
InChIKeyNJNVZDWAOLIOTP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.18
Rot. Bonds6

About 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid

2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid (PubChem CID 79623755) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
PubChem CID79623755
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)CCNCC(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-9(2,8(13)14)6-11-5-4-7(12)10-3/h11H,4-6H2,1-3H3,(H,10,12)(H,13,14)
InChIKeyNJNVZDWAOLIOTP-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
CID 79623575
3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
CID 65111192
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
CID 79629822
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylpropanoic acid
CID 106305628
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]prop-2-enoic acid
CID 103245953
2,2-dimethyl-3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428755

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid (CID 79623755) is 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid is CNC(=O)CCNCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is NJNVZDWAOLIOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,8(13)14)6-11-5-4-7(12)10-3/h11H,4-6H2,1-3H3,(H,10,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid?
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 79623755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).