2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide

C9H20N2O4 — CID 107852750

IUPAC2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H20N2O4/c1-6(2)7(10)8(15)11-9(3-12,4-13)5-14/h6-7,12-14H,3-5,10H2,1-2H3,(H,11,15)
InChIKeyVUDYEWBCICXZBN-UHFFFAOYSA-N
MW220.27 g/mol
LogP-2.20
Rot. Bonds6

About 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide

2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide (PubChem CID 107852750) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
PubChem CID107852750
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H20N2O4/c1-6(2)7(10)8(15)11-9(3-12,4-13)5-14/h6-7,12-14H,3-5,10H2,1-2H3,(H,11,15)
InChIKeyVUDYEWBCICXZBN-UHFFFAOYSA-N
XLogP-2.20
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 107852819
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107852756
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
CID 118545041
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide
CID 54556382
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide (CID 107852750) is 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide is CC(C)C(N)C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide?
The InChIKey is VUDYEWBCICXZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-6(2)7(10)8(15)11-9(3-12,4-13)5-14/h6-7,12-14H,3-5,10H2,1-2H3,(H,11,15).
What are the key properties of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide?
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide has a molecular weight of 220.27 g/mol, XLogP of -2.20, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 107852750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).