2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid

C8H18N2O3 — CID 90020733

IUPAC2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NCC(C)(C)N)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-5(11)6(7(12)13)10-4-8(2,3)9/h5-6,10-11H,4,9H2,1-3H3,(H,12,13)
InChIKeyDLOIJAADIPIRHV-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.85
Rot. Bonds5

About 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid

2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid (PubChem CID 90020733) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
PubChem CID90020733
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NCC(C)(C)N)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-5(11)6(7(12)13)10-4-8(2,3)9/h5-6,10-11H,4,9H2,1-3H3,(H,12,13)
InChIKeyDLOIJAADIPIRHV-UHFFFAOYSA-N
XLogP-0.85
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-hydroxy-2-(hydroxymethylamino)butanoic acid
CID 54383324
(2S,3R)-3-hydroxy-2-(sulfanylmethylamino)butanoic acid
CID 87314479
(2S)-3-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 139430355
2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
CID 79805776
(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
CID 88693917
(2S,3R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-3-hydroxybutanoic acid
CID 104965263
2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol
CID 163829282
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
CID 106149098
3-methyl-2-(2,2,2-trifluoroethylamino)butanoic acid;hydrochloride
CID 138109921
2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
CID 21201077
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid (CID 90020733) is 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid is CC(O)C(NCC(C)(C)N)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid?
The InChIKey is DLOIJAADIPIRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(11)6(7(12)13)10-4-8(2,3)9/h5-6,10-11H,4,9H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid?
2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid has a molecular weight of 190.24 g/mol, XLogP of -0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 90020733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).