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

C19H35N3O5 — CID 22874357

IUPAC(2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid
SMILESCCCCCCCCCC[C@H](CC(=O)NO)C(=O)[C@@H]1CNCCN1C(=O)O
InChIInChI=1S/C19H35N3O5/c1-2-3-4-5-6-7-8-9-10-15(13-17(23)21-27)18(24)16-14-20-11-12-22(16)19(25)26/h15-16,20,27H,2-14H2,1H3,(H,21,23)(H,25,26)/t15-,16+/m1/s1
InChIKeyPMRUKVNXVVDLQX-CVEARBPZSA-N
MW385.51 g/mol
LogP2.55
Rot. Bonds13

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

(2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid (PubChem CID 22874357) has the molecular formula C19H35N3O5 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid
PubChem CID22874357
Molecular FormulaC19H35N3O5
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC Name(2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid
SMILESCCCCCCCCCC[C@H](CC(=O)NO)C(=O)[C@@H]1CNCCN1C(=O)O
InChIInChI=1S/C19H35N3O5/c1-2-3-4-5-6-7-8-9-10-15(13-17(23)21-27)18(24)16-14-20-11-12-22(16)19(25)26/h15-16,20,27H,2-14H2,1H3,(H,21,23)(H,25,26)/t15-,16+/m1/s1
InChIKeyPMRUKVNXVVDLQX-CVEARBPZSA-N
XLogP2.55
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.55
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 (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid (CID 22874357) is (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid is CCCCCCCCCC[C@H](CC(=O)NO)C(=O)[C@@H]1CNCCN1C(=O)O.
What is the InChIKey of (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid?
The InChIKey is PMRUKVNXVVDLQX-CVEARBPZSA-N. The full InChI is InChI=1S/C19H35N3O5/c1-2-3-4-5-6-7-8-9-10-15(13-17(23)21-27)18(24)16-14-20-11-12-22(16)19(25)26/h15-16,20,27H,2-14H2,1H3,(H,21,23)(H,25,26)/t15-,16+/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid?
(2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid has a molecular weight of 385.51 g/mol, XLogP of 2.55, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]dodecanoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22874357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).