2-amino-3-(2-methylpropoxyamino)propanoic acid

C7H16N2O3 — CID 103261578

IUPAC2-amino-3-(2-methylpropoxyamino)propanoic acid
SMILESCC(C)CONCC(N)C(=O)O
InChIInChI=1S/C7H16N2O3/c1-5(2)4-12-9-3-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyZVRSYTOVSLPHRS-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.42
Rot. Bonds6

About 2-amino-3-(2-methylpropoxyamino)propanoic acid

2-amino-3-(2-methylpropoxyamino)propanoic acid (PubChem CID 103261578) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-3-(2-methylpropoxyamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methylpropoxyamino)propanoic acid
PubChem CID103261578
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-amino-3-(2-methylpropoxyamino)propanoic acid
SMILESCC(C)CONCC(N)C(=O)O
InChIInChI=1S/C7H16N2O3/c1-5(2)4-12-9-3-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyZVRSYTOVSLPHRS-UHFFFAOYSA-N
XLogP-0.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2-amino-3-(1-hydroxyethylamino)propanoic acid
CID 130791522
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
2-amino-3-hydrazinylpropanoic acid
CID 155021010
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylpropoxyamino)propanoic acid?
The IUPAC name of 2-amino-3-(2-methylpropoxyamino)propanoic acid (CID 103261578) is 2-amino-3-(2-methylpropoxyamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methylpropoxyamino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methylpropoxyamino)propanoic acid is CC(C)CONCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methylpropoxyamino)propanoic acid?
The InChIKey is ZVRSYTOVSLPHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(2)4-12-9-3-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-3-(2-methylpropoxyamino)propanoic acid?
2-amino-3-(2-methylpropoxyamino)propanoic acid has a molecular weight of 176.22 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylpropoxyamino)propanoic acid is sourced from PubChem (CID 103261578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).