(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride

C13H23ClN4O5 — CID 46193020

IUPAC(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O.Cl
InChIInChI=1S/C13H22N4O5.ClH/c1-3-7(2)11(14)12(20)15-8-4-5-10(19)17(13(8)21)6-9(18)16-22;/h7-8,11,22H,3-6,14H2,1-2H3,(H,15,20)(H,16,18);1H/t7-,8-,11-;/m0./s1
InChIKeyGCQLJBNZHASCMY-AEXHUXLESA-N
MW350.80 g/mol
LogP-1.08
Rot. Bonds6

About (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride

(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride (PubChem CID 46193020) has the molecular formula C13H23ClN4O5 and a molecular weight of 350.80 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride
PubChem CID46193020
Molecular FormulaC13H23ClN4O5
Molecular Weight350.80 g/mol
Exact Mass350.14
IUPAC Name(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O.Cl
InChIInChI=1S/C13H22N4O5.ClH/c1-3-7(2)11(14)12(20)15-8-4-5-10(19)17(13(8)21)6-9(18)16-22;/h7-8,11,22H,3-6,14H2,1-2H3,(H,15,20)(H,16,18);1H/t7-,8-,11-;/m0./s1
InChIKeyGCQLJBNZHASCMY-AEXHUXLESA-N
XLogP-1.08
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 688571
CID 688571
CID 29337
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CID 44481934
CID 44481934
CID 44481940
CID 44481940
CID 44481942
CID 44481942
CID 90664312
CID 90664312
CID 44481670
CID 44481670
CID 44481936
CID 44481936
CID 44481938
CID 44481938
CID 135370397
CID 135370397
CID 3030375
CID 3030375
CID 44481935
CID 44481935

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride (CID 46193020) is (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O.Cl.
What is the InChIKey of (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride?
The InChIKey is GCQLJBNZHASCMY-AEXHUXLESA-N. The full InChI is InChI=1S/C13H22N4O5.ClH/c1-3-7(2)11(14)12(20)15-8-4-5-10(19)17(13(8)21)6-9(18)16-22;/h7-8,11,22H,3-6,14H2,1-2H3,(H,15,20)(H,16,18);1H/t7-,8-,11-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride?
(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride has a molecular weight of 350.80 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 46193020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).