2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid

C6H14N2O3 — CID 87428208

IUPAC2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
SMILESCC(O)C(CN)NCC(=O)O
InChIInChI=1S/C6H14N2O3/c1-4(9)5(2-7)8-3-6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)
InChIKeyVNJKYWMTYYTMLI-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.63
Rot. Bonds5

About 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid

2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid (PubChem CID 87428208) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
PubChem CID87428208
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
SMILESCC(O)C(CN)NCC(=O)O
InChIInChI=1S/C6H14N2O3/c1-4(9)5(2-7)8-3-6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)
InChIKeyVNJKYWMTYYTMLI-UHFFFAOYSA-N
XLogP-1.63
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carboxymethylamino)propanoic acid
CID 2764308
2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
CID 88704450
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
2-[1-(diaminomethylideneamino)ethylamino]acetic acid
CID 87120373
2-[[(2S)-but-3-yn-2-yl]amino]acetic acid
CID 135221499
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
CID 163971647
5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid
CID 87496959
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
2-[[(Z)-pent-3-en-2-yl]amino]acetic acid
CID 143858966

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid?
The IUPAC name of 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid (CID 87428208) is 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid is CC(O)C(CN)NCC(=O)O.
What is the InChIKey of 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid?
The InChIKey is VNJKYWMTYYTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-4(9)5(2-7)8-3-6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11).
What are the key properties of 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid?
2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid has a molecular weight of 162.19 g/mol, XLogP of -1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid is sourced from PubChem (CID 87428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).