2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid

C13H24N2O4 — CID 151236930

IUPAC2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid
SMILESCCCCCC(=O)C(N)(CCC(=O)NCC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-5-6-7-10(16)13(14,12(18)19)9-8-11(17)15-4-2/h3-9,14H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNPLZDEGCSUQQIF-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.83
Rot. Bonds10

About 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid

2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid (PubChem CID 151236930) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid.

Molecular Properties

Compound Name2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid
PubChem CID151236930
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid
SMILESCCCCCC(=O)C(N)(CCC(=O)NCC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-5-6-7-10(16)13(14,12(18)19)9-8-11(17)15-4-2/h3-9,14H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNPLZDEGCSUQQIF-UHFFFAOYSA-N
XLogP0.83
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2R)-2-amino-2-dodecanoylpentanedioic acid
CID 140563960
2-amino-2-(3-amino-3-oxopropyl)-3-oxoicosanoic acid
CID 19421297
2-amino-2-(3-aminopropyl)-3-oxotetradecanoic acid
CID 174507484
2-amino-2-(4-aminobutyl)-3-oxooctadecanoic acid
CID 22044528
4-amino-4-hexadecanoyl-5-oxoicosanoic acid
CID 175586203
2-amino-2-ethyl-4-(octacosanoylamino)-3-oxobutanoic acid
CID 175242388
2-amino-2-octanoylbutanedioic acid
CID 154684693
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid
CID 140785640
N-ethyloctadecanamide;octadecanamide
CID 159879248
(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide
CID 175513367

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid?
The IUPAC name of 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid (CID 151236930) is 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid.
What is the SMILES notation for 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid?
The canonical SMILES for 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid is CCCCCC(=O)C(N)(CCC(=O)NCC)C(=O)O.
What is the InChIKey of 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid?
The InChIKey is NPLZDEGCSUQQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-5-6-7-10(16)13(14,12(18)19)9-8-11(17)15-4-2/h3-9,14H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid?
2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.83, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid is sourced from PubChem (CID 151236930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).