4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide

C8H18N2O3 — CID 91228626

IUPAC4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
SMILESCC(O)C(C)NC(=O)CC(O)CN
InChIInChI=1S/C8H18N2O3/c1-5(6(2)11)10-8(13)3-7(12)4-9/h5-7,11-12H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyCVUQPHSUXBSYID-UHFFFAOYSA-N
MW190.24 g/mol
LogP-1.42
Rot. Bonds5

About 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide

4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide (PubChem CID 91228626) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
PubChem CID91228626
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
SMILESCC(O)C(C)NC(=O)CC(O)CN
InChIInChI=1S/C8H18N2O3/c1-5(6(2)11)10-8(13)3-7(12)4-9/h5-7,11-12H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyCVUQPHSUXBSYID-UHFFFAOYSA-N
XLogP-1.42
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 ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide (CID 91228626) is 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide is CC(O)C(C)NC(=O)CC(O)CN.
What is the InChIKey of 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The InChIKey is CVUQPHSUXBSYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(6(2)11)10-8(13)3-7(12)4-9/h5-7,11-12H,3-4,9H2,1-2H3,(H,10,13).
What are the key properties of 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide has a molecular weight of 190.24 g/mol, XLogP of -1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(3-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 91228626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).