(2-oxopentylamino) 5-azidopentanoate

C10H18N4O3 — CID 118680626

IUPAC(2-oxopentylamino) 5-azidopentanoate
SMILESCCCC(=O)CNOC(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C10H18N4O3/c1-2-5-9(15)8-13-17-10(16)6-3-4-7-12-14-11/h13H,2-8H2,1H3
InChIKeyQACWKVLVZQFRIM-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.88
Rot. Bonds10

About (2-oxopentylamino) 5-azidopentanoate

(2-oxopentylamino) 5-azidopentanoate (PubChem CID 118680626) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2-oxopentylamino) 5-azidopentanoate.

Molecular Properties

Compound Name(2-oxopentylamino) 5-azidopentanoate
PubChem CID118680626
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name(2-oxopentylamino) 5-azidopentanoate
SMILESCCCC(=O)CNOC(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C10H18N4O3/c1-2-5-9(15)8-13-17-10(16)6-3-4-7-12-14-11/h13H,2-8H2,1H3
InChIKeyQACWKVLVZQFRIM-UHFFFAOYSA-N
XLogP1.88
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

15-azidopentadecanoyl hexadecanoate
CID 123227762
methyl 12-azido-3-oxododecanoate
CID 166511245
(2,3,4,5,6-pentafluorophenyl) 6-azidohexanoate
CID 163715517
ethyl 5-azidopentanoate;prop-1-yne
CID 167542550
[2,3,4,5,6-pentakis(11-azidoundecanoyloxy)cyclohexyl] 11-azidoundecanoate
CID 102393083
2-azidoethyl octadecanoate
CID 141274315
N-(4-azidobutyl)hexanamide
CID 106386708
6-azido-N-methylhexanamide
CID 130188396
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide
CID 158179835
N-(4-azidobutyl)heptanamide
CID 106386394
propylamino pentanoate;hydrochloride
CID 175097669
ethylamino decanoate
CID 151278124

Frequently Asked Questions

What is the IUPAC name of (2-oxopentylamino) 5-azidopentanoate?
The IUPAC name of (2-oxopentylamino) 5-azidopentanoate (CID 118680626) is (2-oxopentylamino) 5-azidopentanoate.
What is the SMILES notation for (2-oxopentylamino) 5-azidopentanoate?
The canonical SMILES for (2-oxopentylamino) 5-azidopentanoate is CCCC(=O)CNOC(=O)CCCCN=[N+]=[N-].
What is the InChIKey of (2-oxopentylamino) 5-azidopentanoate?
The InChIKey is QACWKVLVZQFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-5-9(15)8-13-17-10(16)6-3-4-7-12-14-11/h13H,2-8H2,1H3.
What are the key properties of (2-oxopentylamino) 5-azidopentanoate?
(2-oxopentylamino) 5-azidopentanoate has a molecular weight of 242.28 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopentylamino) 5-azidopentanoate is sourced from PubChem (CID 118680626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).