CID 172722392

C8H17KN3O3 — CID 172722392

IUPAC—
SMILESNCCCC[C@H](N)C(=O)OC(=O)CN.[K]
InChIInChI=1S/C8H17N3O3.K/c9-4-2-1-3-6(11)8(13)14-7(12)5-10;/h6H,1-5,9-11H2;/t6-;/m0./s1
InChIKeyGRRKFSUHSYAEIU-RGMNGODLSA-N
MW242.34 g/mol
LogP-1.91
Rot. Bonds6

About CID 172722392

CID 172722392 (PubChem CID 172722392) has the molecular formula C8H17KN3O3 and a molecular weight of 242.34 g/mol.

Molecular Properties

Compound NameCID 172722392
PubChem CID172722392
Molecular FormulaC8H17KN3O3
Molecular Weight242.34 g/mol
Exact Mass242.09
IUPAC Name—
SMILESNCCCC[C@H](N)C(=O)OC(=O)CN.[K]
InChIInChI=1S/C8H17N3O3.K/c9-4-2-1-3-6(11)8(13)14-7(12)5-10;/h6H,1-5,9-11H2;/t6-;/m0./s1
InChIKeyGRRKFSUHSYAEIU-RGMNGODLSA-N
XLogP-1.91
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-aminoacetyl) 2,8-diaminooctanoate
CID 56999097
(2-aminoacetyl) 2,4-diaminobutanoate
CID 57012289
(2-iodoacetyl) (2S)-2,6-diaminohexanoate
CID 87584112
[2-[(2S)-2,6-diaminohexanoyl]oxy-2-oxoethyl] (2S)-2,6-diaminohexanoate;hydrochloride
CID 174780244
amino (2S)-2,6-diaminohexanoate
CID 18651785
disodium;[(2S)-2,6-diaminohexanoyl]oxycarbonyl (2S)-2,6-diaminohexanoate;hydride
CID 174505551
4-aminobutanoyl (2R)-2,5-diaminopentanoate
CID 174727380
acetyl (2S)-2,6-diaminohexanoate;trihydrate
CID 174752678
bis[(2S)-2,6-diaminohexanoyl] 3,4-dioxoheptanedioate
CID 123467856
(2-phosphonooxyacetyl) (2S)-2,6-diaminohexanoate
CID 174743807
diaminomethyl (2S)-2,6-diaminohexanoate
CID 87634064
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403

Frequently Asked Questions

What is the IUPAC name of CID 172722392?
The IUPAC name of CID 172722392 (CID 172722392) is not available.
What is the SMILES notation for CID 172722392?
The canonical SMILES for CID 172722392 is NCCCC[C@H](N)C(=O)OC(=O)CN.[K].
What is the InChIKey of CID 172722392?
The InChIKey is GRRKFSUHSYAEIU-RGMNGODLSA-N. The full InChI is InChI=1S/C8H17N3O3.K/c9-4-2-1-3-6(11)8(13)14-7(12)5-10;/h6H,1-5,9-11H2;/t6-;/m0./s1.
What are the key properties of CID 172722392?
CID 172722392 has a molecular weight of 242.34 g/mol, XLogP of -1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172722392 is sourced from PubChem (CID 172722392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).