2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide

C10H22N2O3 — CID 107865579

IUPAC2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
SMILESCCC(CO)(CO)NC(=O)C(C)(N)CC
InChIInChI=1S/C10H22N2O3/c1-4-9(3,11)8(15)12-10(5-2,6-13)7-14/h13-14H,4-7,11H2,1-3H3,(H,12,15)
InChIKeyKVDDDFVSLWDRGJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.64
Rot. Bonds6

About 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide

2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide (PubChem CID 107865579) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
PubChem CID107865579
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
SMILESCCC(CO)(CO)NC(=O)C(C)(N)CC
InChIInChI=1S/C10H22N2O3/c1-4-9(3,11)8(15)12-10(5-2,6-13)7-14/h13-14H,4-7,11H2,1-3H3,(H,12,15)
InChIKeyKVDDDFVSLWDRGJ-UHFFFAOYSA-N
XLogP-0.64
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide
CID 114010599
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
2-amino-N-carbamoyl-2-methylbutanamide
CID 79812267
4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
CID 79811550
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide (CID 107865579) is 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide is CCC(CO)(CO)NC(=O)C(C)(N)CC.
What is the InChIKey of 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide?
The InChIKey is KVDDDFVSLWDRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-4-9(3,11)8(15)12-10(5-2,6-13)7-14/h13-14H,4-7,11H2,1-3H3,(H,12,15).
What are the key properties of 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide?
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 107865579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).