(2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid

C14H25N3O5 — CID 22874374

IUPAC(2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid
SMILESCCCCC[C@H](CC(=O)NO)C(=O)[C@H]1CNCCN1C(=O)O
InChIInChI=1S/C14H25N3O5/c1-2-3-4-5-10(8-12(18)16-22)13(19)11-9-15-6-7-17(11)14(20)21/h10-11,15,22H,2-9H2,1H3,(H,16,18)(H,20,21)/t10-,11-/m1/s1
InChIKeyJXBZNAYYWMCXPW-GHMZBOCLSA-N
MW315.37 g/mol
LogP0.60
Rot. Bonds8

About (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid

(2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid (PubChem CID 22874374) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid
PubChem CID22874374
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Name(2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid
SMILESCCCCC[C@H](CC(=O)NO)C(=O)[C@H]1CNCCN1C(=O)O
InChIInChI=1S/C14H25N3O5/c1-2-3-4-5-10(8-12(18)16-22)13(19)11-9-15-6-7-17(11)14(20)21/h10-11,15,22H,2-9H2,1H3,(H,16,18)(H,20,21)/t10-,11-/m1/s1
InChIKeyJXBZNAYYWMCXPW-GHMZBOCLSA-N
XLogP0.60
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid (CID 22874374) is (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid is CCCCC[C@H](CC(=O)NO)C(=O)[C@H]1CNCCN1C(=O)O.
What is the InChIKey of (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid?
The InChIKey is JXBZNAYYWMCXPW-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-2-3-4-5-10(8-12(18)16-22)13(19)11-9-15-6-7-17(11)14(20)21/h10-11,15,22H,2-9H2,1H3,(H,16,18)(H,20,21)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid?
(2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22874374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).