(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid

C11H24N2O4 — CID 146208300

IUPAC(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid
SMILESC[C@H](CO)NCC[C@@H](C)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H24N2O4/c1-8(3-5-13-9(2)7-14)12-6-4-10(15)11(16)17/h8-10,12-15H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+/m1/s1
InChIKeyRBOZOWLDASWWKT-BBBLOLIVSA-N
MW248.32 g/mol
LogP-0.84
Rot. Bonds10

About (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid

(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid (PubChem CID 146208300) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid
PubChem CID146208300
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid
SMILESC[C@H](CO)NCC[C@@H](C)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H24N2O4/c1-8(3-5-13-9(2)7-14)12-6-4-10(15)11(16)17/h8-10,12-15H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+/m1/s1
InChIKeyRBOZOWLDASWWKT-BBBLOLIVSA-N
XLogP-0.84
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid with MolForge

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Related Compounds

carbamic acid;2-(2-hydroxyethylamino)propan-1-ol
CID 88506214
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid
CID 141435473
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
2,5-dihydroxyhexanoic acid
CID 18424665
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid (CID 146208300) is (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid is C[C@H](CO)NCC[C@@H](C)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid?
The InChIKey is RBOZOWLDASWWKT-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-8(3-5-13-9(2)7-14)12-6-4-10(15)11(16)17/h8-10,12-15H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+/m1/s1.
What are the key properties of (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid has a molecular weight of 248.32 g/mol, XLogP of -0.84, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid is sourced from PubChem (CID 146208300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).