(2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide

C24H37N5O4 — CID 11363138

IUPAC(2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESNCCCCCNC(=O)CC1CN[C@H](C(=O)N2CCC(c3ccccc3)C2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C24H37N5O4/c25-10-5-2-6-11-26-21(30)14-17-13-20(23(31)28-33)22(27-15-17)24(32)29-12-9-19(16-29)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-20,22,27,33H,2,5-6,9-16,25H2,(H,26,30)(H,28,31)/t17?,19?,20-,22-/m0/s1
InChIKeyVXPAAABROXRBQT-XHXISMBCSA-N
MW459.59 g/mol
LogP0.74
Rot. Bonds10

About (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide

(2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 11363138) has the molecular formula C24H37N5O4 and a molecular weight of 459.59 g/mol. Its IUPAC name is (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID11363138
Molecular FormulaC24H37N5O4
Molecular Weight459.59 g/mol
Exact Mass459.28
IUPAC Name(2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESNCCCCCNC(=O)CC1CN[C@H](C(=O)N2CCC(c3ccccc3)C2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C24H37N5O4/c25-10-5-2-6-11-26-21(30)14-17-13-20(23(31)28-33)22(27-15-17)24(32)29-12-9-19(16-29)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-20,22,27,33H,2,5-6,9-16,25H2,(H,26,30)(H,28,31)/t17?,19?,20-,22-/m0/s1
InChIKeyVXPAAABROXRBQT-XHXISMBCSA-N
XLogP0.74
TPSA136.79 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 11363138) is (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide is NCCCCCNC(=O)CC1CN[C@H](C(=O)N2CCC(c3ccccc3)C2)[C@@H](C(=O)NO)C1.
What is the InChIKey of (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is VXPAAABROXRBQT-XHXISMBCSA-N. The full InChI is InChI=1S/C24H37N5O4/c25-10-5-2-6-11-26-21(30)14-17-13-20(23(31)28-33)22(27-15-17)24(32)29-12-9-19(16-29)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-20,22,27,33H,2,5-6,9-16,25H2,(H,26,30)(H,28,31)/t17?,19?,20-,22-/m0/s1.
What are the key properties of (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 0.74, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-[2-(5-aminopentylamino)-2-oxoethyl]-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 11363138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).