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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Related Compounds

N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 56683894
2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide
CID 56670435
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-3-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56663530
2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid
CID 18442603
2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 141033463
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
CID 16755320
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide
CID 58659729
(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate
CID 143403656
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159188199
N-[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 88927964
N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87460429
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210512

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).