N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide

C17H34N2O6 — CID 139295404

IUPACN-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
SMILESCCCC(=O)NC1C(O)OC(CO)C(O)C1OC(C)(C)[C@@H](N)C(C)C
InChIInChI=1S/C17H34N2O6/c1-6-7-11(21)19-12-14(13(22)10(8-20)24-16(12)23)25-17(4,5)15(18)9(2)3/h9-10,12-16,20,22-23H,6-8,18H2,1-5H3,(H,19,21)/t10?,12?,13?,14?,15-,16?/m0/s1
InChIKeySSPIKOWDKVNYRC-HJWHAMGNSA-N
MW362.47 g/mol
LogP-0.51
Rot. Bonds8

About N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide

N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide (PubChem CID 139295404) has the molecular formula C17H34N2O6 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
PubChem CID139295404
Molecular FormulaC17H34N2O6
Molecular Weight362.47 g/mol
Exact Mass362.24
IUPAC NameN-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
SMILESCCCC(=O)NC1C(O)OC(CO)C(O)C1OC(C)(C)[C@@H](N)C(C)C
InChIInChI=1S/C17H34N2O6/c1-6-7-11(21)19-12-14(13(22)10(8-20)24-16(12)23)25-17(4,5)15(18)9(2)3/h9-10,12-16,20,22-23H,6-8,18H2,1-5H3,(H,19,21)/t10?,12?,13?,14?,15-,16?/m0/s1
InChIKeySSPIKOWDKVNYRC-HJWHAMGNSA-N
XLogP-0.51
TPSA134.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 5-0.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
The IUPAC name of N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide (CID 139295404) is N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide.
What is the SMILES notation for N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
The canonical SMILES for N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide is CCCC(=O)NC1C(O)OC(CO)C(O)C1OC(C)(C)[C@@H](N)C(C)C.
What is the InChIKey of N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
The InChIKey is SSPIKOWDKVNYRC-HJWHAMGNSA-N. The full InChI is InChI=1S/C17H34N2O6/c1-6-7-11(21)19-12-14(13(22)10(8-20)24-16(12)23)25-17(4,5)15(18)9(2)3/h9-10,12-16,20,22-23H,6-8,18H2,1-5H3,(H,19,21)/t10?,12?,13?,14?,15-,16?/m0/s1.
What are the key properties of N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide has a molecular weight of 362.47 g/mol, XLogP of -0.51, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-amino-2,4-dimethylpentan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide is sourced from PubChem (CID 139295404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).