(2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide

C21H32N4O5 — CID 10454818

IUPAC(2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide
SMILESCCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
InChIInChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1
InChIKeyJNFMXXAZBVSNRC-SJORKVTESA-N
MW420.51 g/mol
LogP0.67
Rot. Bonds13

About (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide

(2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide (PubChem CID 10454818) has the molecular formula C21H32N4O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide.

Molecular Properties

Compound Name(2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide
PubChem CID10454818
Molecular FormulaC21H32N4O5
Molecular Weight420.51 g/mol
Exact Mass420.24
IUPAC Name(2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide
SMILESCCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
InChIInChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1
InChIKeyJNFMXXAZBVSNRC-SJORKVTESA-N
XLogP0.67
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide?
The IUPAC name of (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide (CID 10454818) is (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide.
What is the SMILES notation for (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide?
The canonical SMILES for (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide is CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC.
What is the InChIKey of (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide?
The InChIKey is JNFMXXAZBVSNRC-SJORKVTESA-N. The full InChI is InChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1.
What are the key properties of (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide?
(2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide has a molecular weight of 420.51 g/mol, XLogP of 0.67, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-hydroxy-2-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-N-propylpentane-1,2,5-tricarboxamide is sourced from PubChem (CID 10454818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).