2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid

C7H16N2O4 — CID 106190983

IUPAC2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
SMILESCOCC(CO)NCC(N)C(=O)O
InChIInChI=1S/C7H16N2O4/c1-13-4-5(3-10)9-2-6(8)7(11)12/h5-6,9-10H,2-4,8H2,1H3,(H,11,12)
InChIKeyBNYRDFIEXLIJSL-UHFFFAOYSA-N
MW192.21 g/mol
LogP-2.00
Rot. Bonds7

About 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid

2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid (PubChem CID 106190983) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
PubChem CID106190983
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
SMILESCOCC(CO)NCC(N)C(=O)O
InChIInChI=1S/C7H16N2O4/c1-13-4-5(3-10)9-2-6(8)7(11)12/h5-6,9-10H,2-4,8H2,1H3,(H,11,12)
InChIKeyBNYRDFIEXLIJSL-UHFFFAOYSA-N
XLogP-2.00
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate
CID 106190326
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
CID 79266873
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106187891
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
2-amino-3-(1-hydroxyethylamino)propanoic acid
CID 130791522
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
CID 103237040
(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
CID 87289464
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid (CID 106190983) is 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid is COCC(CO)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid?
The InChIKey is BNYRDFIEXLIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-13-4-5(3-10)9-2-6(8)7(11)12/h5-6,9-10H,2-4,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid?
2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid has a molecular weight of 192.21 g/mol, XLogP of -2.00, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid is sourced from PubChem (CID 106190983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).