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

C8H18N2O3 — CID 79266873

IUPAC2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
SMILESCC(C)[C@@H](CO)NCC(N)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-5(2)7(4-11)10-3-6(9)8(12)13/h5-7,10-11H,3-4,9H2,1-2H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyFGZRCERTTVHVBO-COBSHVIPSA-N
MW190.24 g/mol
LogP-1.00
Rot. Bonds6

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

2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid (PubChem CID 79266873) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
PubChem CID79266873
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
SMILESCC(C)[C@@H](CO)NCC(N)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-5(2)7(4-11)10-3-6(9)8(12)13/h5-7,10-11H,3-4,9H2,1-2H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyFGZRCERTTVHVBO-COBSHVIPSA-N
XLogP-1.00
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-hydroxyethylamino)propanoic acid
CID 130791522
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
CID 106190983
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
2-amino-3-hydrazinylpropanoic acid
CID 155021010
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518
CID 157089134
CID 157089134

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid (CID 79266873) is 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid is CC(C)[C@@H](CO)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid?
The InChIKey is FGZRCERTTVHVBO-COBSHVIPSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(2)7(4-11)10-3-6(9)8(12)13/h5-7,10-11H,3-4,9H2,1-2H3,(H,12,13)/t6?,7-/m1/s1.
What are the key properties of 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid?
2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid has a molecular weight of 190.24 g/mol, XLogP of -1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid is sourced from PubChem (CID 79266873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).