1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate

C11H23N3O3 — CID 139612107

IUPAC1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate
SMILESCCN(CC)C(C)OC(=O)C(N)CCC(N)=O
InChIInChI=1S/C11H23N3O3/c1-4-14(5-2)8(3)17-11(16)9(12)6-7-10(13)15/h8-9H,4-7,12H2,1-3H3,(H2,13,15)
InChIKeyBUVKSBUNEYGXKO-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.19
Rot. Bonds8

About 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate

1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate (PubChem CID 139612107) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Name1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate
PubChem CID139612107
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate
SMILESCCN(CC)C(C)OC(=O)C(N)CCC(N)=O
InChIInChI=1S/C11H23N3O3/c1-4-14(5-2)8(3)17-11(16)9(12)6-7-10(13)15/h8-9H,4-7,12H2,1-3H3,(H2,13,15)
InChIKeyBUVKSBUNEYGXKO-UHFFFAOYSA-N
XLogP-0.19
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
CID 88686252
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388
dibutan-2-yl (2S)-2-aminopentanedioate
CID 22826603
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
sulfo (2S)-2,5-diamino-5-oxopentanoate
CID 174388300
(2,5-diamino-5-oxopentanoyl) octadecaneperoxoate
CID 176651544
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate?
The IUPAC name of 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate (CID 139612107) is 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate.
What is the SMILES notation for 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate?
The canonical SMILES for 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate is CCN(CC)C(C)OC(=O)C(N)CCC(N)=O.
What is the InChIKey of 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate?
The InChIKey is BUVKSBUNEYGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-14(5-2)8(3)17-11(16)9(12)6-7-10(13)15/h8-9H,4-7,12H2,1-3H3,(H2,13,15).
What are the key properties of 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate?
1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate has a molecular weight of 245.32 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate is sourced from PubChem (CID 139612107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).