(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

C18H35N3O5 — CID 10619360

IUPAC(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@@H](C(=O)NC(C(=O)NC(C)(C)C)C(C)(C)C)[C@H](O)C(=O)NO
InChIInChI=1S/C18H35N3O5/c1-10(2)9-11(12(22)15(24)21-26)14(23)19-13(17(3,4)5)16(25)20-18(6,7)8/h10-13,22,26H,9H2,1-8H3,(H,19,23)(H,20,25)(H,21,24)/t11-,12+,13?/m1/s1
InChIKeyZAECFNDBPNBENU-OJRHAOMCSA-N
MW373.49 g/mol
LogP0.96
Rot. Bonds7

About (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 10619360) has the molecular formula C18H35N3O5 and a molecular weight of 373.49 g/mol. Its IUPAC name is (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
PubChem CID10619360
Molecular FormulaC18H35N3O5
Molecular Weight373.49 g/mol
Exact Mass373.26
IUPAC Name(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@@H](C(=O)NC(C(=O)NC(C)(C)C)C(C)(C)C)[C@H](O)C(=O)NO
InChIInChI=1S/C18H35N3O5/c1-10(2)9-11(12(22)15(24)21-26)14(23)19-13(17(3,4)5)16(25)20-18(6,7)8/h10-13,22,26H,9H2,1-8H3,(H,19,23)(H,20,25)(H,21,24)/t11-,12+,13?/m1/s1
InChIKeyZAECFNDBPNBENU-OJRHAOMCSA-N
XLogP0.96
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 50.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide (CID 10619360) is (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide is CC(C)C[C@@H](C(=O)NC(C(=O)NC(C)(C)C)C(C)(C)C)[C@H](O)C(=O)NO.
What is the InChIKey of (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is ZAECFNDBPNBENU-OJRHAOMCSA-N. The full InChI is InChI=1S/C18H35N3O5/c1-10(2)9-11(12(22)15(24)21-26)14(23)19-13(17(3,4)5)16(25)20-18(6,7)8/h10-13,22,26H,9H2,1-8H3,(H,19,23)(H,20,25)(H,21,24)/t11-,12+,13?/m1/s1.
What are the key properties of (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 373.49 g/mol, XLogP of 0.96, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 10619360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).