2-amino-3-(1-aminopropoxy)propanoic acid

C6H14N2O3 — CID 87227256

IUPAC2-amino-3-(1-aminopropoxy)propanoic acid
SMILESCCC(N)OCC(N)C(=O)O
InChIInChI=1S/C6H14N2O3/c1-2-5(8)11-3-4(7)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
InChIKeyIEALMBNBVLBUBN-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.89
Rot. Bonds5

About 2-amino-3-(1-aminopropoxy)propanoic acid

2-amino-3-(1-aminopropoxy)propanoic acid (PubChem CID 87227256) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-amino-3-(1-aminopropoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-aminopropoxy)propanoic acid
PubChem CID87227256
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-amino-3-(1-aminopropoxy)propanoic acid
SMILESCCC(N)OCC(N)C(=O)O
InChIInChI=1S/C6H14N2O3/c1-2-5(8)11-3-4(7)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
InChIKeyIEALMBNBVLBUBN-UHFFFAOYSA-N
XLogP-0.89
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
2-aminobutanoic acid;ethane
CID 90764297
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid
CID 123357592
2-amino-3-methylsulfanyloxypropanoic acid
CID 123638438

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-aminopropoxy)propanoic acid?
The IUPAC name of 2-amino-3-(1-aminopropoxy)propanoic acid (CID 87227256) is 2-amino-3-(1-aminopropoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-aminopropoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(1-aminopropoxy)propanoic acid is CCC(N)OCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(1-aminopropoxy)propanoic acid?
The InChIKey is IEALMBNBVLBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-2-5(8)11-3-4(7)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10).
What are the key properties of 2-amino-3-(1-aminopropoxy)propanoic acid?
2-amino-3-(1-aminopropoxy)propanoic acid has a molecular weight of 162.19 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-aminopropoxy)propanoic acid is sourced from PubChem (CID 87227256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).