N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide

C17H29N3O5 — CID 56680553

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESCOCC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIInChI=1S/C17H29N3O5/c1-25-12-16(22)19-8-4-5-9-20(19)17(23)15(11-18(24)13-21)10-14-6-2-3-7-14/h13-15,24H,2-12H2,1H3/t15-/m1/s1
InChIKeyRLHPTGFDIJMJSD-OAHLLOKOSA-N
MW355.44 g/mol
LogP1.04
Rot. Bonds8

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 56680553) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID56680553
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESCOCC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIInChI=1S/C17H29N3O5/c1-25-12-16(22)19-8-4-5-9-20(19)17(23)15(11-18(24)13-21)10-14-6-2-3-7-14/h13-15,24H,2-12H2,1H3/t15-/m1/s1
InChIKeyRLHPTGFDIJMJSD-OAHLLOKOSA-N
XLogP1.04
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide (CID 56680553) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide is COCC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is RLHPTGFDIJMJSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-25-12-16(22)19-8-4-5-9-20(19)17(23)15(11-18(24)13-21)10-14-6-2-3-7-14/h13-15,24H,2-12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 355.44 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 56680553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).