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

C9H20N2O3 — CID 82947080

IUPAC2-amino-3-(3-propoxypropylamino)propanoic acid
SMILESCCCOCCCNCC(N)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-2-5-14-6-3-4-11-7-8(10)9(12)13/h8,11H,2-7,10H2,1H3,(H,12,13)
InChIKeyDSXLQRFPWBXPHG-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.20
Rot. Bonds9

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

2-amino-3-(3-propoxypropylamino)propanoic acid (PubChem CID 82947080) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-3-(3-propoxypropylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-propoxypropylamino)propanoic acid
PubChem CID82947080
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-amino-3-(3-propoxypropylamino)propanoic acid
SMILESCCCOCCCNCC(N)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-2-5-14-6-3-4-11-7-8(10)9(12)13/h8,11H,2-7,10H2,1H3,(H,12,13)
InChIKeyDSXLQRFPWBXPHG-UHFFFAOYSA-N
XLogP-0.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-6-[(3-dodecoxy-2-hydroxypropyl)amino]hexanoic acid;hydrochloride
CID 18392215
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
2-amino-3-(3-methylsulfonylpropylamino)propanoic acid
CID 64582441
2-amino-3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid
CID 103245375
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
2-amino-3-(butylamino)propanamide
CID 103232681
3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 156873078
(2S)-2-amino-3-(2-propoxyethylsulfanyl)propanoic acid
CID 107773252
N-[2-(3-propoxypropylamino)ethyl]acetamide
CID 107529829

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-propoxypropylamino)propanoic acid?
The IUPAC name of 2-amino-3-(3-propoxypropylamino)propanoic acid (CID 82947080) is 2-amino-3-(3-propoxypropylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-propoxypropylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(3-propoxypropylamino)propanoic acid is CCCOCCCNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-propoxypropylamino)propanoic acid?
The InChIKey is DSXLQRFPWBXPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-5-14-6-3-4-11-7-8(10)9(12)13/h8,11H,2-7,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(3-propoxypropylamino)propanoic acid?
2-amino-3-(3-propoxypropylamino)propanoic acid has a molecular weight of 204.27 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-propoxypropylamino)propanoic acid is sourced from PubChem (CID 82947080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).