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

C8H18N2O4 — CID 107852756

IUPAC3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
SMILESCC(N)CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H18N2O4/c1-6(9)2-7(14)10-8(3-11,4-12)5-13/h6,11-13H,2-5,9H2,1H3,(H,10,14)
InChIKeyRUACTJSMEBDZOU-UHFFFAOYSA-N
MW206.24 g/mol
LogP-2.44
Rot. Bonds6

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

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide (PubChem CID 107852756) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
PubChem CID107852756
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
SMILESCC(N)CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H18N2O4/c1-6(9)2-7(14)10-8(3-11,4-12)5-13/h6,11-13H,2-5,9H2,1H3,(H,10,14)
InChIKeyRUACTJSMEBDZOU-UHFFFAOYSA-N
XLogP-2.44
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-2.44
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
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide
CID 107852731
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
CID 62520694
2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide
CID 107852760
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
methyl 2-(3-aminobutanoylamino)acetate
CID 60914832
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide?
The IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide (CID 107852756) is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide is CC(N)CC(=O)NC(CO)(CO)CO.
What is the InChIKey of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide?
The InChIKey is RUACTJSMEBDZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-6(9)2-7(14)10-8(3-11,4-12)5-13/h6,11-13H,2-5,9H2,1H3,(H,10,14).
What are the key properties of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide?
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide has a molecular weight of 206.24 g/mol, XLogP of -2.44, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide is sourced from PubChem (CID 107852756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).