(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

C18H34N4O4 — CID 59908776

IUPAC(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN1C(=O)N(CCC(C)C)CC(=O)NO
InChIInChI=1S/C18H34N4O4/c1-13(2)7-9-19-17(24)15-6-5-10-22(15)18(25)21(11-8-14(3)4)12-16(23)20-26/h13-15,26H,5-12H2,1-4H3,(H,19,24)(H,20,23)/t15-/m0/s1
InChIKeyNOXZTWCSCDTWKJ-HNNXBMFYSA-N
MW370.49 g/mol
LogP1.59
Rot. Bonds9

About (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 59908776) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
PubChem CID59908776
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN1C(=O)N(CCC(C)C)CC(=O)NO
InChIInChI=1S/C18H34N4O4/c1-13(2)7-9-19-17(24)15-6-5-10-22(15)18(25)21(11-8-14(3)4)12-16(23)20-26/h13-15,26H,5-12H2,1-4H3,(H,19,24)(H,20,23)/t15-/m0/s1
InChIKeyNOXZTWCSCDTWKJ-HNNXBMFYSA-N
XLogP1.59
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (CID 59908776) is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)N(CCC(C)C)CC(=O)NO.
What is the InChIKey of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is NOXZTWCSCDTWKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-13(2)7-9-19-17(24)15-6-5-10-22(15)18(25)21(11-8-14(3)4)12-16(23)20-26/h13-15,26H,5-12H2,1-4H3,(H,19,24)(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 370.49 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N,2-N-bis(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).